Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.64 |
| ▸ | TACR3 | P29371 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | RHOA | P61586 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4818313 | 1.00 | TACR1 (0.64) | TACR1TACR3CCR2CHRM4RHOA | |
| SCHEMBL4818317 | 1.00 | TACR1 (0.64) | TACR1TACR3CCR2CHRM4RHOA | |
| SCHEMBL3080528 | 0.96 | TACR1 (0.62) | TACR1TACR3CCR2CHRM4RHOA | |
| SCHEMBL5501478 | 0.93 | TACR1 (0.60) | TACR1TACR3CCR2CHRM4RHOA | |
| SCHEMBL14017631 | 0.91 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL4817425 | 0.91 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL4817431 | 0.91 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL4822396 | 0.91 | TACR1 (0.57) | TACR1TACR3RHOAUSP2 | |
| SCHEMBL4819341 | 0.91 | TACR1 (0.57) | TACR1TACR3RHOAUSP2 | |
| SCHEMBL14017640 | 0.91 | TACR1 (0.57) | TACR1TACR3RHOAUSP2 |
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-1581517-B1 | SUBSTITUTED 1-PIPERIDIN-4-YL-4-AZETIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2007-02-21 | — | — | EP | claimed |