Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 5/20 | 0.43 |
| ▸ | PPIB | P23284 | 1/20 | 0.43 |
| ▸ | PPID | Q08752 | 1/20 | 0.43 |
| ▸ | PPIG | Q13427 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10688873 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10689969 | 0.80 | CYP1A2 (0.53) | CYP1A2ALDH1A1 | |
| SCHEMBL10692623 | 0.75 | MME (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10953351 | 0.75 | MME (0.74) | MMEALDH1A1ACEHPGDECE1 | |
| SCHEMBL10957779 | 0.75 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10689368 | 0.73 | LAP3 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10690934 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10689837 | 0.72 | MME (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14476767 | 0.70 | CTSS (0.65) | ALDH1A1MMP1FCER2 | |
| SCHEMBL10957789 | 0.69 | ALDH1A1 (0.47) | MMEALDH1A1HPGDMEN1KMT2A |
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-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |
| US-4618708-A | ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT | ROQUES BERNARD (FR) | 1986-10-21 | — | — | US | disclosed |