Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL6617571 | 0.92 | NPC1 (0.43) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6613271 | 0.92 | SMN1; SMN2 (0.41) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6616349 | 0.91 | NPC1 (0.39) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6615007 | 0.89 | NPC1 (0.39) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6607824 | 0.88 | MAPT (0.42) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6616477 | 0.87 | NPC1 (0.45) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6602903 | 0.86 | NPC1 (0.40) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6617233 | 0.85 | NPC1 (0.43) | MAPTTP53NPC1RAB9AGAA | |
| SCHEMBL6650207 | 0.85 | NPC1 (0.47) | ABCG2ABCB1MAPTNPC1RAB9A | |
| SCHEMBL6618198 | 0.85 | RAB9A (0.41) | MAPTTP53NPC1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458379-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051358-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2003-06-26 | — | — | WO | claimed |