Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963099 | 1.00 | HDAC2 (0.40) | HDAC2NPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL8962820 | 0.95 | HDAC2 (0.43) | HDAC2MAOBMAOABRD4ESR2 | |
| SCHEMBL9300179 | 0.95 | HDAC2 (0.43) | HDAC2MAOBMAOABRD4ESR2 | |
| SCHEMBL8963395 | 0.90 | HDAC2 (0.40) | HDAC2MAOBMAOABRD4ESR2 | |
| SCHEMBL9300526 | 0.89 | KDM1A (0.38) | HDAC2MAOBMAOAP2RY14KDM1A | |
| SCHEMBL8962823 | 0.86 | ESR2 (0.41) | HDAC2ALDH1A1MAPK1MAOBMAOA | |
| SCHEMBL8962829 | 0.86 | ESR2 (0.41) | HDAC2ALDH1A1MAPK1MAOBMAOA | |
| SCHEMBL8963014 | 0.86 | HDAC2 (0.45) | HDAC2NPC1RAB9AMAOBMAOA | |
| SCHEMBL8963019 | 0.86 | HDAC2 (0.45) | HDAC2NPC1RAB9AMAOBMAOA | |
| SCHEMBL8963069 | 0.85 | SLC18A3 (0.40) | HDAC2NPC1RAB9ACYP2C9MAPT |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |