Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 12/20 | 0.46 |
| ▸ | MAOA | P21397 | 10/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1390564 | 0.91 | TSHR (0.49) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL17347205 | 0.82 | MAOB (0.61) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL17338672 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL7919465 | 0.77 | ALDH1A1 (0.43) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL1390757 | 0.77 | ALDH1A1 (0.43) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL7922322 | 0.77 | ALDH2 (0.44) | ALDH1A1NPC1RAB9AMAOBMAOA | |
| SCHEMBL10239177 | 0.76 | ALDH1A1 (0.42) | TSHRALDH1A1NPC1RAB9AMAOB | |
| SCHEMBL1390488 | 0.71 | ACACB (0.47) | NPC1MAOBMAOAPPARDPPARA | |
| SCHEMBL15211605 | 0.70 | MAOB (0.58) | ALDH1A1NPC1RAB9AMAOBMAOA | |
| SCHEMBL1391092 | 0.69 | MAOA (0.44) | ALDH1A1NPC1RAB9AMAOBMAOA |
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-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |