Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19615945 | 0.77 | TRPV4 (0.48) | TRPV4TRPV1HTR2AKCNH2DAO | |
| SCHEMBL336320 | 0.76 | TRPV4 (0.52) | TRPV4KDM4ETRPV1HTR2AKCNH2 | |
| SCHEMBL29417132 | 0.76 | TRPV4 (0.52) | TRPV4KDM4ETRPV1HTR2AKCNH2 | |
| SCHEMBL18160985 | 0.74 | KDM4E (0.41) | KDM4EFDPSKCNH2ENPP2 | |
| SCHEMBL6227921 | 0.74 | TRPV4 (0.46) | TRPV4KDM4ETRPV1HTR2AKCNH2 | |
| SCHEMBL6227922 | 0.74 | TRPV4 (0.46) | TRPV4KDM4ETRPV1HTR2AKCNH2 | |
| SCHEMBL17966288 | 0.73 | TRPV4 (0.42) | TRPV4TRPV1HTR2AKCNH2DAO | |
| SCHEMBL17966289 | 0.73 | TRPV4 (0.42) | TRPV4TRPV1HTR2AKCNH2DAO | |
| SCHEMBL7430542 | 0.73 | NFE2L2 (0.44) | KDM4EFDPSENPP2 | |
| SCHEMBL7430545 | 0.73 | NFE2L2 (0.44) | KDM4EFDPSENPP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101454285-B | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA | 2012-06-27 | — | — | CN | disclosed |
| CN-101454285-A | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA (PT) | 2009-06-10 | — | — | CN | disclosed |
| EP-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | WO | disclosed |