Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.65 |
| ▸ | TACR3 | P29371 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | TACR2 | P21452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13756720 | 0.96 | TACR1 (0.61) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL13980765 | 0.95 | TACR1 (0.67) | TACR1TACR3USP2CYP3A4KDM4E | |
| SCHEMBL4986742 | 0.94 | TACR1 (0.68) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL1400878 | 0.94 | TACR1 (0.68) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL4993782 | 0.94 | TACR1 (0.68) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL1400874 | 0.94 | TACR1 (0.68) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL14217430 | 0.92 | TACR1 (0.59) | TACR1TACR3USP2CA1CA2 | |
| SCHEMBL13145055 | 0.89 | TACR1 (0.58) | TACR1TACR3USP2TACR2 | |
| SCHEMBL13818195 | 0.88 | USP2 (0.63) | TACR1TACR3USP2CYP3A4ALDH1A1 | |
| SCHEMBL13145004 | 0.88 | TACR1 (0.65) | TACR1TACR3USP2CA1CA2 |
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 |