Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.55 |
| ▸ | RHOC | P08134 | 1/20 | 0.45 |
| ▸ | RHOA | P61586 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL730772 | 0.92 | TACR1 (0.66) | TACR1RHOCRHOATACR3OPRD1 | |
| SCHEMBL7688875 | 0.89 | TACR1 (0.49) | TACR1RHOCRHOATACR3USP2 | |
| SCHEMBL12809194 | 0.88 | OPRK1 (0.52) | TACR1RHOCRHOATACR3OPRK1 | |
| SCHEMBL4987212 | 0.88 | TACR1 (0.49) | TACR1RHOCRHOATACR3USP2 | |
| SCHEMBL4987525 | 0.87 | TACR1 (0.48) | TACR1RHOCRHOATACR3USP2 | |
| SCHEMBL7864817 | 0.86 | TACR1 (0.48) | TACR1KMT2A | |
| SCHEMBL3076567 | 0.81 | KMT2A (0.44) | KMT2AOPRD1CYP3A4OPRK1CYP2C19 | |
| SCHEMBL4983555 | 0.81 | TACR1 (0.62) | TACR1RHOCRHOATACR3OPRD1 | |
| SCHEMBL7863763 | 0.80 | L3MBTL1 (0.56) | TACR1RHOCRHOATACR3L3MBTL1 | |
| SCHEMBL5368900 | 0.80 | L3MBTL1 (0.56) | TACR1RHOCRHOATACR3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6346540-B1 | SUBSTANCE P ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL AND BRAIN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-02-12 | — | — | US | disclosed |
| EP-0855999-B1 | 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2001-10-04 | — | — | EP | disclosed |
| US-6169097-B1 | 1-(1,2-Disubstituted piperidinyl)-4-substituted piperidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-01-02 | — | — | US | disclosed |
| EP-0855999-A1 | 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-08-05 | — | — | EP | disclosed |
| WO-1997024324-A1 | 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-10 | — | — | WO | disclosed |