Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 4/20 | 0.59 |
| ▸ | HRH1 | P35367 | 3/20 | 0.59 |
| ▸ | DRD3 | P35462 | 3/20 | 0.59 |
| ▸ | DRD4 | P21917 | 2/20 | 0.59 |
| ▸ | DRD5 | P21918 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1928614 | 0.85 | KDM4E (0.67) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL3405632 | 0.85 | KDM4E (0.86) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL4517578 | 0.83 | HTR1B (0.53) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL1928194 | 0.83 | KDM4E (0.64) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL1929728 | 0.83 | POLB (0.56) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL30670120 | 0.83 | TDP1 (0.61) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL1927756 | 0.83 | POLB (0.56) | KDM4EALDH1A1TDP1TSHRPOLB | |
| SCHEMBL3887958 | 0.81 | POLB (0.55) | KDM4EALDH1A1TDP1POLBKMT2A | |
| SCHEMBL2322967 | 0.80 | HTR1B (0.67) | KDM4EALDH1A1TDP1POLBKMT2A | |
| SCHEMBL227615 | 0.80 | HRH3 (0.57) | KDM4EALDH1A1TDP1TSHRCYP2D6 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| EP-2938600-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| EP-2938600-A1 | COMT INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-11-04 | — | — | EP | disclosed |
| WO-2014102233-A1 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-03 | — | — | WO | disclosed |
| EP-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |
| EP-2357173-A1 | New alkyne compounds with MCH-antagonistic activity and medicaments containing them | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-1948605-A2 | MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007061741-A2 | MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| EP-1558578-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004039780-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-13 | — | — | WO | disclosed |
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | 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 (1 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-20160002177-A1 | COMT INHIBITORS | COMT, PNMT, SLC6A3 | KDM4E 1308/4885ALDH1A1 92/4885TDP1 361/4885 |
“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.