Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | FCGR1A | P12314 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | RPA1 | P27694 | 2/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10645870 | 0.85 | NPC1 (1.00) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL11382119 | 0.84 | NPC1 (0.78) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL12361461 | 0.82 | NPC1 (0.93) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL21254105 | 0.79 | NPC1 (0.69) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL20239624 | 0.79 | RAB9A (0.69) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL12361454 | 0.78 | NPC1 (0.77) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL10194259 | 0.78 | NPC1 (0.83) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL16139661 | 0.77 | NPC1 (0.66) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL27882807 | 0.77 | RAB9A (0.71) | NPC1RAB9AALDH1A1HPGDALOX5 | |
| SCHEMBL23398739 | 0.76 | RPA1 (0.57) | NPC1RAB9AALDH1A1HPGDPTGS2 |
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-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |