Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17288901 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL28149907 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL17288488 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL17288458 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL11249042 | 0.80 | TAAR1 (0.37) | — | |
| SCHEMBL3047898 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL2128362 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL12039318 | 0.79 | NQO2 (0.49) | CYP1A2CYP2C19CYP2C9MTNR1ANQO2 | |
| SCHEMBL28290926 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL17288350 | 0.78 | BCHE (0.45) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4396785-A | DIELECTRICS, ALKYLATION | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1983-08-02 | — | — | US | claimed |
| EP-1361225-B1 | COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS | SANKYO CO (JP) | 2007-11-07 | — | — | EP | disclosed |
| US-7091352-B2 | Compounds substituted with bicyclic amino groups | SANKYO COMPANY, LIMITED (JP) | 2006-08-15 | — | — | US | disclosed |
| US-20060128756-A1 | Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses | SANKYO COMPANY, LIMITED (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1377577-B1 | PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES | SANKYO CO (JP) | 2006-06-14 | — | — | EP | disclosed |
| US-20050283006-A1 | Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses | SANKYO COMPANY, LIMITED (JP) | 2005-12-22 | — | — | US | disclosed |
| US-20040147525-A1 | Compounds substituted with bicyclic amino groups | SANKYO COMPANY, LIMITED (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1361225-A1 | COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS | Sankyo Company, Limited (JP) | 2003-11-12 | — | — | EP | disclosed |
| EP-0304809-A1 | Perfluorinated butyl derivative compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-03-01 | — | — | EP | disclosed |
| EP-0304808-A1 | Perfluorinated propyl derivative compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4396785-A | DIELECTRICS, ALKYLATION | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1983-08-02 | — | — | US | 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-20060128756-A1 | Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses | IL2, IL1A, IL1B | CYP1A2 665/4885CYP2C19 2617/4885CYP2C9 2077/4885 |
| US-20050283006-A1 | Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses | IL2, CNKSR1, IL1A | CYP1A2 558/4885CYP2C19 2338/4885CYP2C9 1574/4885 |
| US-20040147525-A1 | Compounds substituted with bicyclic amino groups | IL2, IL1B, IL4I1 | CYP1A2 174/4885CYP2C19 146/4885CYP2C9 81/4885 |
“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.