Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.57 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | RHOA | P61586 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL14017640 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL4822433 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL5211573 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL5213231 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL4819337 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL4819341 | 1.00 | TACR1 (0.57) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL3086580 | 0.96 | TACR1 (0.56) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL12809206 | 0.96 | TACR1 (0.56) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL3068260 | 0.96 | TACR1 (0.56) | TACR1TACR3RHOAUSP2CYP3A4 | |
| SCHEMBL3086578 | 0.96 | TACR1 (0.56) | TACR1TACR3RHOAUSP2CYP3A4 |
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 |