Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 8/20 | 0.44 |
| ▸ | MAOA | P21397 | 5/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1391092 | 0.92 | MAOA (0.44) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL7926417 | 0.77 | TSHR (0.50) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1390488 | 0.76 | ACACB (0.47) | ALDH2MAOAMAOBNPC1PPARD | |
| SCHEMBL7917892 | 0.76 | NPC1 (0.41) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL15159372 | 0.75 | MAOA (0.38) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1390473 | 0.72 | PPARA (0.50) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1390564 | 0.71 | TSHR (0.49) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1390926 | 0.71 | PPARD (0.46) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL7927004 | 0.70 | MAOB (0.43) | ALDH2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1390694 | 0.70 | MTNR1A (0.47) | ALDH2MAOAMAOBNPC1PPARD |
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 |