Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.60 |
| ▸ | TACR3 | P29371 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | RHOC | P08134 | 1/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5214562 | 1.00 | TACR1 (0.60) | TACR1TACR3CYP2C9CYP2C19HTR2B | |
| SCHEMBL4818011 | 1.00 | TACR1 (0.60) | TACR1TACR3CYP2C9CYP2C19HTR2B | |
| SCHEMBL4817425 | 0.90 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL14017631 | 0.90 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL4817431 | 0.90 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL3086886 | 0.89 | TACR1 (0.50) | TACR1TACR3CHRM2 | |
| SCHEMBL3086889 | 0.89 | TACR1 (0.50) | TACR1TACR3CHRM2 | |
| SCHEMBL4818313 | 0.88 | TACR1 (0.64) | TACR1TACR3USP2RHOACHRM4 | |
| SCHEMBL4818317 | 0.88 | TACR1 (0.64) | TACR1TACR3USP2RHOACHRM4 | |
| SCHEMBL5214038 | 0.88 | TACR1 (0.64) | TACR1TACR3USP2RHOACHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7435736-B2 | Substituted 1-piperidin-4-yl-4-azetidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-10-14 | — | — | US | claimed |