Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HAT1 | O14929 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6670849 | 0.97 | NR1H4 (0.41) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL6667497 | 0.81 | HSP90AA1 (0.41) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL6672234 | 0.80 | NR1H4 (0.34) | NR1H4HSP90AA1NPC1MAPK14SMN1; SMN2 | |
| SCHEMBL6672675 | 0.79 | NR1H4 (0.40) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL6672645 | 0.78 | HSP90AA1 (0.42) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL6667531 | 0.77 | NR1H4 (0.34) | NR1H4HSP90AA1NPC1MAPK14SMN1; SMN2 | |
| SCHEMBL7014636 | 0.76 | RAB9A (0.38) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL7015592 | 0.76 | HSP90AA1 (0.40) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL7483549 | 0.73 | HSP90AA1 (0.44) | NR1H4HSP90AA1NPC1RAB9AALDH1A1 | |
| SCHEMBL7482403 | 0.71 | NR1H4 (0.34) | NR1H4HSP90AA1NPC1MAPK14SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004019940-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | claimed |