Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165788 | 1.00 | KMT2A (0.42) | KMT2ADPP4NPC1RAB9ACYP2C9 | |
| SCHEMBL6573642 | 0.90 | CYP2C9 (0.47) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6575537 | 0.90 | CYP2C9 (0.47) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6160498 | 0.86 | PIN1 (0.41) | NPC1RAB9ACYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7324682 | 0.85 | KMT2A (0.57) | KMT2ACYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL6161755 | 0.83 | ABL1 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6161753 | 0.83 | ABL1 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6160013 | 0.81 | ALDH1A1 (0.44) | RAB9ACYP2C9CYP2C19ALDH1A1THRB | |
| SCHEMBL6161299 | 0.81 | ALDH1A1 (0.44) | RAB9ACYP2C9CYP2C19ALDH1A1THRB | |
| SCHEMBL6160534 | 0.81 | ALDH1A1 (0.44) | RAB9ACYP2C9CYP2C19ALDH1A1THRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0877740-B1 | THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY | ZAMBON SPA (IT) | 2005-03-30 | — | — | EP | disclosed |