Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6099639 | 0.84 | TDP1 (0.47) | TDP1KMT2ALMNATSHRALDH1A1 | |
| SCHEMBL2071064 | 0.81 | TDP1 (0.47) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL28075408 | 0.80 | TDP1 (0.46) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL1289443 | 0.80 | TDP1 (0.46) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| Hydrochloric Acid SCHEMBL18584396 | 0.79 | TDP1 (0.44) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL19529521 | 0.75 | TDP1 (0.49) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL28123624 | 0.75 | LMNA (0.52) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL28706308 | 0.73 | LMNA (0.61) | TDP1KMT2AHIF1AMAPK1SLC6A2 | |
| SCHEMBL36736 | 0.73 | ALOX15 (0.45) | HIF1ACYP2C19CYP1A2PPARGL3MBTL1 | |
| SCHEMBL1848696 | 0.72 | LMNA (0.54) | TDP1KMT2AHIF1AMAPK1SLC6A2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-20130018191-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | ABRECHT STEFAN (CH) | 2013-01-17 | — | — | US | disclosed |
| US-20120022260-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | ABRECHT STEFAN (CH) | 2012-01-26 | — | — | US | disclosed |
| US-20120010413-A1 | Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine | ABRECHT STEFAN (CH) | 2012-01-12 | — | — | US | disclosed |
| EP-2066667-B1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| EP-2069343-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. Hoffmann-Roche AG (CH) | 2009-06-17 | — | — | EP | disclosed |
| EP-2066667-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | F. Hoffmann-Roche AG (CH) | 2009-06-10 | — | — | EP | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 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 | TDP1 4630/4885KMT2A 577/4885HIF1A 3932/4885 |
| 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 | TDP1 3980/4885KMT2A 819/4885HIF1A 2353/4885 |
| 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 | TDP1 3980/4885KMT2A 819/4885HIF1A 2353/4885 |
| US-20130018191-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | TDP1 2415/4885KMT2A 2002/4885HIF1A 4509/4885 |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | TDP1 2415/4885KMT2A 2002/4885HIF1A 4509/4885 |
| US-20120022260-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | TDP1 2415/4885KMT2A 2002/4885HIF1A 4509/4885 |
| US-20120010413-A1 | Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine | IDO2, IDO1, H1-2 | TDP1 3980/4885KMT2A 819/4885HIF1A 2353/4885 |
| 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 | TDP1 3980/4885KMT2A 819/4885HIF1A 2353/4885 |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | PNPO, ENO1, CHRM1 | TDP1 2415/4885KMT2A 2002/4885HIF1A 4509/4885 |
| 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 | TDP1 3980/4885KMT2A 819/4885HIF1A 2353/4885 |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | TDP1 2415/4885KMT2A 2002/4885HIF1A 4509/4885 |
“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.