Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12074542 | 0.86 | TRPV1 (0.35) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| SCHEMBL12074068 | 0.86 | TRPV1 (0.35) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| SCHEMBL14935790 | 0.86 | TRPV1 (0.35) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| SCHEMBL20124509 | 0.84 | ACACB (0.36) | HRH4 | |
| SCHEMBL18902007 | 0.81 | TRPV1 (0.36) | LMNA | |
| SCHEMBL18902116 | 0.80 | TAAR1 (0.38) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| SCHEMBL12073264 | 0.79 | PIM1 (0.33) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| Hydrochloric Acid SCHEMBL14935857 | 0.78 | PIM1 (0.33) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| Hydrochloric Acid SCHEMBL14935855 | 0.78 | PIM1 (0.33) | LMNACYP2C9ATP6V1B2TBXA2REDNRA | |
| SCHEMBL16210719 | 0.77 | TRPV1 (0.48) | — |
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-3173411-B1 | TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF | PURDUE PHARMA LP (US) | 2018-05-09 | — | — | EP | disclosed |
| EP-3173411-A1 | TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF | Purdue Pharma L.P. (US) | 2017-05-31 | — | — | EP | disclosed |