Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078614 | 0.89 | BCHE (0.38) | CYP2A6MAOAMAOBACHEBCHE | |
| SCHEMBL7716943 | 0.89 | CYP2A6 (0.40) | CYP2A6MAOAMAOBBCHEHTR2C | |
| Methylamine SCHEMBL11650011 | 0.86 | HTR2A (0.38) | CYP2A6MAOAMAOBACHEBCHE | |
| Methylamine SCHEMBL11654740 | 0.85 | HTR2C (0.38) | CYP2A6MAOAMAOBACHEBCHE | |
| SCHEMBL7712806 | 0.79 | CYP2A6 (0.46) | CYP2A6MAOAMAOBACHEBCHE | |
| SCHEMBL568436 | 0.78 | HTR2C (0.49) | ACHEBCHEHTR2C | |
| SCHEMBL11073821 | 0.78 | BCHE (0.39) | CYP2A6MAOAMAOBBCHEHTR2C | |
| SCHEMBL598590 | 0.77 | CYP19A1 (0.49) | — | |
| SCHEMBL22721447 | 0.77 | CYP19A1 (0.49) | — | |
| SCHEMBL30129841 | 0.77 | CYP19A1 (0.49) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6369110-B1 | PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM | SUMITOMO PHARMACEUTICALS COMPANY (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-1083166-A1 | NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2001-03-14 | — | — | EP | disclosed |