Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17540678 | 0.77 | — | — | |
| SCHEMBL8003373 | 0.72 | — | — | |
| SCHEMBL7387076 | 0.69 | KDM4E (0.31) | ALDH1A1HSD17B10MEN1LMNAMAPT | |
| SCHEMBL10642347 | 0.68 | ALDH1A1 (0.33) | ABCB11ALDH1A1TP53CYP1A2CHRM2 | |
| SCHEMBL17284104 | 0.68 | — | — | |
| SCHEMBL10375396 | 0.67 | PTAFR (0.34) | ABCB11ALDH1A1TP53CYP1A2CHRM2 | |
| SCHEMBL20425270 | 0.66 | KDM4E (0.32) | ALDH1A1HSD17B10MEN1LMNAMAPT | |
| SCHEMBL18955341 | 0.64 | ABCB11 (0.31) | ABCB11ALDH1A1TP53CYP1A2CHRM2 | |
| SCHEMBL11775709 | 0.64 | ABCB11 (0.31) | ABCB11ALDH1A1TP53CYP1A2CHRM2 | |
| SCHEMBL10839999 | 0.63 | ABCB11 (0.30) | ABCB11ALDH1A1TP53CYP1A2CHRM2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150336951-A1 | Process For The Preparation Of A DPP-IV Inhibitor | HOFFMANN-LA ROCHE INC. | 2015-11-26 | — | — | US | claimed |
| US-20150252039-A1 | Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-09-10 | — | — | US | claimed |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-05-07 | — | — | US | claimed |
| US-20150031888-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | US | claimed |
| US-20140350257-A1 | Process for the Preparation of a DPP-IV Inhibitor | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-27 | — | — | US | claimed |
| US-20140187785-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2014-07-03 | — | — | US | claimed |
| US-20140046066-A1 | PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 2014-02-13 | — | — | US | claimed |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (US) | 2013-12-19 | — | — | US | claimed |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | claimed |
| US-8420818-B2 | Process for the preparation of pyrido[2,1-a] isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | claimed |
| WO-2009027276-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2, 1-A] ISOQUINOLINE DERIVATIVES AND POLYMORPHIC FROMS THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-05 | — | — | WO | claimed |
| US-20080108816-A1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-08 | — | — | US | claimed |
| US-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | US | claimed |
| WO-2008031749-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMAN-LA ROCHE INC. | 2008-03-20 | — | — | US | claimed |
| WO-2008031750-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| WO-2007041294-A2 | METHODS FOR SENSITIZING CANCER CELLS TO INHIBITORS | THE TRUSTEES OF BOSTON UNIVERSITY (US) | 2007-04-12 | — | — | WO | claimed |
| US-20060270853-A1 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2h-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | HOFFMANN-LA ROCHE INC. | 2006-11-30 | — | — | US | claimed |
| EP-0120637-B1 | BENZOQUINOLIZINES | JOHN WYETH & BROTHER LIMITED (GB) | 1988-01-20 | — | — | EP | claimed |
| EP-0079123-B1 | BENZOQUINOLIZINES | JOHN WYETH & BROTHER LIMITED (GB) | 1985-09-04 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | PNISR, SFPQ, PLPBP | ABCB11 4754/4885ALDH1A1 3416/4885TP53 2016/4885 |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | ABCB11 4540/4885ALDH1A1 3110/4885TP53 1857/4885 |
| US-20150031888-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | ABCB11 4540/4885ALDH1A1 3110/4885TP53 1857/4885 |
| US-20140046066-A1 | PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR | DPP4, DPP3, DPP7 | ABCB11 1520/4885ALDH1A1 94/4885TP53 4565/4885 |
| US-20140350257-A1 | Process for the Preparation of a DPP-IV Inhibitor | DPP4, DPP3, DPP7 | ABCB11 1229/4885ALDH1A1 136/4885TP53 4504/4885 |
| US-20080108816-A1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | DPP4, DPP7, DPP3 | ABCB11 1486/4885ALDH1A1 98/4885TP53 4530/4885 |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | ABCB11 2876/4885ALDH1A1 1362/4885TP53 4381/4885 |
| US-20150336951-A1 | Process For The Preparation Of A DPP-IV Inhibitor | DPP4, DPP3, DPP7 | ABCB11 1229/4885ALDH1A1 136/4885TP53 4504/4885 |
| US-20060270853-A1 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2h-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | DPP4, DPP7, DPP3 | ABCB11 2119/4885ALDH1A1 70/4885TP53 4571/4885 |
| US-20150252039-A1 | Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine | IDO2, IDO1, H1-2 | ABCB11 4540/4885ALDH1A1 3110/4885TP53 1857/4885 |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | PNPO, ENO1, CHRM1 | ABCB11 2876/4885ALDH1A1 1362/4885TP53 4381/4885 |
| US-20140187785-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | IDO2, IDO1, H1-2 | ABCB11 4540/4885ALDH1A1 3110/4885TP53 1857/4885 |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | ABCB11 2876/4885ALDH1A1 1362/4885TP53 4381/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.