Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | RARG | P13631 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | ECE1 | P42892 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7432294 | 1.00 | HRH4 (0.54) | HRH4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10710869 | 0.89 | ACE (0.59) | ACEMME | |
| SCHEMBL7437675 | 0.89 | ACE (0.59) | ACEMME | |
| SCHEMBL7439441 | 0.84 | PRKCA (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9622053 | 0.84 | PRKCA (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7365124 | 0.83 | MME (0.48) | HRH4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7434918 | 0.82 | HRH4 (0.64) | HRH4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7434931 | 0.82 | HRH4 (0.64) | HRH4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9622310 | 0.79 | BIRC2 (0.53) | MMEECE1 | |
| SCHEMBL9622313 | 0.79 | BIRC2 (0.53) | MMEECE1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5096925-A | N-substituted butyramide derivatives | CIBA-GEIGY CORPORATION (US) | 1992-03-17 | — | — | US | disclosed |
| US-4939261-A | ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1990-07-03 | — | — | US | disclosed |
| EP-0185079-B1 | N-SUBSTITUTED BUTYRAMIDE DERIVATIVES | CIBA-GEIGY AG (CH) | 1988-10-19 | — | — | EP | disclosed |
| EP-0185079-A1 | — | CIBA GEIGY AG | 1986-06-25 | — | — | EP | disclosed |
| WO-1986000066-A1 | N-SUBSTITUTED BUTYRAMIDE DERIVATIVES | CIBA-GEIGY AG (CH) | 1986-01-03 | — | — | WO | disclosed |