Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | MLKL | Q8NB16 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6753938 | 0.86 | ALDH1A1 (0.60) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL14029834 | 0.85 | TAAR1 (0.56) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL29405275 | 0.85 | ALDH1A1 (0.55) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL2679996 | 0.85 | ALDH1A1 (0.55) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL9229885 | 0.84 | ALDH1A1 (0.54) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL17351649 | 0.84 | ALDH1A1 (0.54) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL10696885 | 0.84 | ALDH1A1 (0.54) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL28407878 | 0.84 | ALDH1A1 (0.54) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL3467183 | 0.84 | ALDH1A1 (0.54) | TAAR1POLBALDH1A1IDO1MLKL | |
| SCHEMBL6756155 | 0.83 | TAAR1 (0.56) | TAAR1POLBALDH1A1IDO1MLKL |
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-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |