Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | 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 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | 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 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL7908812 | 1.00 | HTT (0.43) | HTTALDH1A1CYP2D6CYP1A2TSHR | |
| SCHEMBL27336117 | 0.80 | HTT (0.41) | HTTALDH1A1CYP2C19TP53CYSLTR2 | |
| SCHEMBL7907656 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7911091 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7907662 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL20656719 | 0.77 | HTT (0.46) | HTTALDH1A1CYP2C19CYP3A4CYP26A1 | |
| SCHEMBL1132531 | 0.76 | CYP2D6 (0.48) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7910713 | 0.76 | CYP2D6 (0.48) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL7914353 | 0.76 | FFAR1 (0.40) | ALDH1A1CYP2D6CYP1A2TSHRCYP2C19 | |
| SCHEMBL11827355 | 0.76 | ALDH1A1 (0.41) | 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 |