Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.54 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14027002 | 0.95 | CYP2D6 (0.65) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL17608988 | 0.94 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL1426231 | 0.94 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL2381460 | 0.94 | CYP2D6 (0.59) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL8060461 | 0.93 | CYP2D6 (0.67) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL31230964 | 0.93 | CYP2D6 (0.58) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL12526355 | 0.93 | CYP2D6 (0.69) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL21262272 | 0.90 | CYP2D6 (0.60) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL27477846 | 0.89 | CYP2D6 (0.62) | CYP2D6CYP3A4ALDH1A1USP2MAPK1 | |
| SCHEMBL8060453 | 0.89 | CYP2D6 (0.72) | CYP2D6CYP3A4ALDH1A1USP2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2021004-A2 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION (US) | 2009-02-11 | — | — | EP | disclosed |
| US-20080247964-A1 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION | 2008-10-09 | — | — | US | disclosed |
| US-20080247964-A1 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION | 2008-10-09 | — | — | US | disclosed |
| US-20080247964-A1 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION | 2008-10-09 | — | — | US | disclosed |
| EP-1592426-B1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2007-12-19 | — | — | EP | disclosed |
| WO-2007140383-A2 | SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007140383-A2 | SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007133561-A2 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-11-22 | — | — | WO | disclosed |
| WO-2007133561-A2 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-11-22 | — | — | WO | disclosed |
| US-20060247251-A1 | 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2006-11-02 | — | — | US | disclosed |
| EP-1224186-B1 | PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | MILLENNIUM PHARM INC (US) | 2003-09-24 | — | — | EP | disclosed |
| US-20030055244-A1 | Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation | MILLENNIUM PHARMACEUTICALS, INC. | 2003-03-20 | — | — | US | disclosed |
| EP-1224186-A2 | PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | COR THERAPEUTICS, INC. (US) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001030780-A2 | PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | COR THERAPEUTICS, INC. (US) | 2001-05-03 | — | — | 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 (3 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-20060247251-A1 | 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof | DPYD, P2RY1, P2RY2 | CYP2D6 37/4885CYP3A4 840/4885ALDH1A1 979/4885 |
| US-20080247964-A1 | SUBSTITUTED AZASPIRO DERIVATIVES | HRH3, HRH4, HRH1 | CYP2D6 1049/4885CYP3A4 1450/4885ALDH1A1 734/4885 |
| US-20030055244-A1 | Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation | PF4, PFKP, FGB | CYP2D6 2733/4885CYP3A4 1560/4885ALDH1A1 2226/4885 |
“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.