Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 5/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL7907656 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7907662 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL20534750 | 0.81 | CYP1A2 (0.43) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7911167 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7911174 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7911164 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7900708 | 0.80 | KMT2A (0.49) | TSHRGAAKDM4ETP53POLB | |
| SCHEMBL7900705 | 0.80 | KMT2A (0.49) | TSHRGAAKDM4ETP53POLB | |
| SCHEMBL7980729 | 0.79 | MMP2 (0.49) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7908816 | 0.79 | HTT (0.43) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211234-B1 | BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID | RHONE-POULENC RORER LIMITED (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |