Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.51 |
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | RHOC | P08134 | 2/20 | 0.42 |
| ▸ | RHOA | P61586 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL4818007 | 0.88 | TACR1 (0.60) | TACR1TACR3RHOCRHOACYP2C9 | |
| SCHEMBL4818011 | 0.88 | TACR1 (0.60) | TACR1TACR3RHOCRHOACYP2C9 | |
| SCHEMBL5214562 | 0.88 | TACR1 (0.60) | TACR1TACR3RHOCRHOACYP2C9 | |
| SCHEMBL12809148 | 0.86 | TACR1 (0.53) | TACR1TACR3RHOCRHOA | |
| SCHEMBL3080528 | 0.85 | TACR1 (0.62) | TACR1TACR3RHOA | |
| SCHEMBL13756725 | 0.84 | TACR1 (0.59) | TACR1TACR3RHOCRHOA | |
| SCHEMBL13756787 | 0.84 | TACR1 (0.59) | TACR1TACR3RHOCRHOA | |
| SCHEMBL3086889 | 0.83 | TACR1 (0.50) | TACR1TACR3 | |
| SCHEMBL3086886 | 0.83 | TACR1 (0.50) | TACR1TACR3 | |
| SCHEMBL5501478 | 0.83 | TACR1 (0.60) | TACR1TACR3RHOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581518-B1 | SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |