Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL8891893 | 0.88 | PDE4A (0.57) | NPC1RAB9ATAAR1ABCB1PDE4A | |
| SCHEMBL8890381 | 0.83 | NPC1 (0.49) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL8901229 | 0.82 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL8890208 | 0.81 | PDE4A (0.59) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL4096434 | 0.80 | PDE4A (0.55) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL8888574 | 0.79 | ALDH1A1 (0.59) | NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL8442080 | 0.78 | PPARA (0.48) | ALDH1A1ALOX5 | |
| SCHEMBL6942928 | 0.78 | PDE4A (0.69) | NPC1RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL31555136 | 0.77 | ABCB1 (0.58) | ABCB1ABCG2 | |
| SCHEMBL184987 | 0.77 | SMPD1 (0.71) | NPC1RAB9AABCB1HDAC1HDAC8 |
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-1997003967-A1 | SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE | RHONE-POULENC RORER LIMITED (GB) | 1997-02-06 | — | — | WO | disclosed |