Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 5/20 | 0.55 |
| ▸ | TACR2 | P21452 | 5/20 | 0.55 |
| ▸ | TACR1 | P25103 | 4/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 2/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8032648 | 0.89 | TACR3 (0.53) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL8042308 | 0.88 | TACR2 (0.51) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297464 | 0.87 | TACR2 (0.58) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297327 | 0.85 | TACR2 (0.52) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL295480 | 0.84 | TACR2 (0.71) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL295922 | 0.83 | TACR3 (0.58) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296518 | 0.83 | TACR2 (0.54) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296271 | 0.81 | TACR2 (0.51) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297448 | 0.81 | TACR3 (0.68) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL370292 | 0.80 | TACR3 (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009033995-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-19 | — | — | WO | disclosed |