Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 2/20 | 0.48 |
| ▸ | FEN1 | P39748 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2445897 | 0.95 | ALOX5AP (0.47) | ALOX5APFEN1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL2703944 | 0.89 | ALOX5AP (0.46) | ALOX5APFEN1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4629540 | 0.88 | ALOX5AP (0.50) | ALOX5APFEN1HPGDEDNRBEDNRA | |
| SCHEMBL2704655 | 0.86 | PSIP1 (0.50) | ALOX5APFEN1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4629650 | 0.86 | ALOX5AP (0.52) | ALOX5APFEN1 | |
| SCHEMBL9813813 | 0.86 | PTGS2 (0.50) | ALOX5APFEN1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL2449150 | 0.81 | PTGS2 (0.50) | ALOX5APFEN1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7208440 | 0.80 | CA2 (0.44) | ALOX5APFEN1PTGS2KDM4EALDH1A1 | |
| SCHEMBL7212096 | 0.79 | MMP8 (0.47) | ALOX5APFEN1PTGS2KDM4EALDH1A1 | |
| SCHEMBL29386971 | 0.78 | KDM4E (0.43) | ALOX5APFEN1PTGS2KDM4EALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2287162-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| 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 |