Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | MMP2 | P08253 | 2/20 | 0.56 |
| ▸ | MMP7 | P09237 | 2/20 | 0.56 |
| ▸ | MMP14 | P50281 | 2/20 | 0.56 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2704194 | 0.89 | HDAC1 (0.56) | CYP2C9CYP2C19CYP3A4CYP2D6MMP2 | |
| SCHEMBL680611 | 0.87 | PSIP1 (0.70) | CYP2C9CYP2C19CYP3A4PSIP1CYP1A2 | |
| SCHEMBL1243273 | 0.87 | HDAC1 (0.58) | CYP2C9CYP2C19CYP3A4CYP2D6MMP2 | |
| SCHEMBL4629380 | 0.85 | HDAC1 (0.61) | CYP2C9CYP2C19CYP3A4MMP2MMP7 | |
| Fluoride SCHEMBL27365732 | 0.85 | PSIP1 (0.67) | CYP2C9CYP2C19CYP3A4PSIP1CYP1A2 | |
| SCHEMBL5134257 | 0.85 | PSIP1 (0.74) | CYP2C9CYP2C19CYP3A4MMP2MMP7 | |
| Ammonia Solution, Strong SCHEMBL8909378 | 0.85 | PSIP1 (0.67) | CYP2C9CYP2C19CYP3A4PSIP1CYP1A2 | |
| SCHEMBL293991 | 0.85 | PSIP1 (0.74) | CYP2C9CYP2C19CYP3A4MMP2MMP7 | |
| SCHEMBL1228349 | 0.83 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4CYP2D6PSIP1 | |
| SCHEMBL15899648 | 0.82 | MMP2 (0.50) | CYP2C9CYP2C19CYP3A4CYP2D6MMP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |
| EP-0939628-A4 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 1999-12-22 | — | — | EP | disclosed |
| EP-0939628-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998003164-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1998-01-29 | — | — | WO | disclosed |