Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.64 |
| ▸ | RARG | P13631 | 1/20 | 0.64 |
| ▸ | CNR1 | P21554 | 1/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.64 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.64 |
| ▸ | PPARA | Q07869 | 1/20 | 0.64 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.64 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.64 |
| ▸ | MME | P08473 | 6/20 | 0.51 |
| ▸ | ECE1 | P42892 | 3/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7105553 | 0.84 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7107731 | 0.84 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7107227 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7694738 | 0.83 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9096963 | 0.83 | MME (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7109121 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7690888 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28373073 | 0.82 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7105516 | 0.82 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10690632 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |