Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 9/20 | 0.44 |
| ▸ | HTR2B | P41595 | 8/20 | 0.44 |
| ▸ | HTR2A | P28223 | 7/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661839 | 0.81 | HTR2C (0.36) | HTR2CHTR2BHTR2ATRPV1 | |
| SCHEMBL4629939 | 0.79 | HTR2C (0.45) | HTR2CHTR2BHTR2A | |
| SCHEMBL3409778 | 0.79 | EPHX2 (0.58) | EPHX2HTR2CHTR2BHTR2ATRPV1 | |
| SCHEMBL27831828 | 0.79 | EPHX2 (0.45) | EPHX2HTR2CHTR2BHTR2ATRPV1 | |
| SCHEMBL5621009 | 0.76 | KDM4E (0.36) | HTR2CHTR2BHTR2A | |
| SCHEMBL20555977 | 0.75 | EPHX2 (0.44) | EPHX2HTR2CHTR2BHTR2ATRPV1 | |
| SCHEMBL1964149 | 0.74 | PLD1 (0.40) | HTR2CHTR2BHTR2A | |
| SCHEMBL2702455 | 0.71 | EPHX2 (0.56) | EPHX2HTR2CHTR2BHTR2ATRPV1 | |
| SCHEMBL3448013 | 0.68 | HTR2C (0.42) | HTR2CHTR2BHTR2A | |
| SCHEMBL1458146 | 0.67 | HTR2C (0.57) | EPHX2HTR2CTRPV1SSTR4SSTR1 |
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-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 |