Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.47 |
| ▸ | CCR3 | P51677 | 5/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | RHOC | P08134 | 1/20 | 0.38 |
| ▸ | RHOA | P61586 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12809224 | 0.90 | TACR1 (0.49) | TACR1CCR3RHOCRHOA | |
| SCHEMBL3088212 | 0.90 | TACR1 (0.49) | TACR1CCR3RHOCRHOA | |
| SCHEMBL13818204 | 0.90 | TACR1 (0.46) | TACR1 | |
| SCHEMBL12809094 | 0.89 | TACR1 (0.60) | TACR1STS | |
| SCHEMBL3086889 | 0.85 | TACR1 (0.50) | TACR1CCR3 | |
| SCHEMBL3086886 | 0.85 | TACR1 (0.50) | TACR1CCR3 | |
| SCHEMBL13756722 | 0.85 | TACR1 (0.57) | TACR1RHOA | |
| SCHEMBL3222415 | 0.84 | TACR1 (0.45) | TACR1CCR3RHOCRHOA | |
| SCHEMBL3222410 | 0.84 | TACR1 (0.45) | TACR1CCR3RHOCRHOA | |
| SCHEMBL3208973 | 0.84 | TACR1 (0.49) | TACR1CCR3 |
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 3 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 |
| 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 |