Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 4/20 | 0.48 |
| ▸ | TACR2 | P21452 | 3/20 | 0.48 |
| ▸ | TACR1 | P25103 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 3/20 | 0.36 |
| ▸ | UBE2M | P61081 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL371169 | 0.89 | TACR3 (0.51) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL8055784 | 0.84 | TACR3 (0.49) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL371382 | 0.83 | TACR3 (0.45) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296855 | 0.83 | TACR3 (0.49) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296221 | 0.82 | TACR3 (0.68) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL8032648 | 0.81 | TACR3 (0.53) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296394 | 0.81 | TACR3 (0.50) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296889 | 0.81 | TACR3 (0.52) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297581 | 0.77 | TACR3 (0.45) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296888 | 0.76 | TACR3 (0.45) | TACR3TACR2TACR1KCNH2CACNA1I |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |