Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.56 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217896 | 1.00 | TACR1 (0.56) | TACR1TACR3USP2CYP3A4MEN1 | |
| SCHEMBL4814953 | 1.00 | TACR1 (0.56) | TACR1TACR3USP2CYP3A4MEN1 | |
| SCHEMBL4822720 | 0.89 | TACR1 (0.58) | TACR1TACR3USP2 | |
| SCHEMBL5213996 | 0.89 | TACR1 (0.58) | TACR1TACR3USP2 | |
| SCHEMBL4822711 | 0.89 | TACR1 (0.58) | TACR1TACR3USP2 | |
| SCHEMBL4815572 | 0.88 | TACR1 (0.57) | TACR1TACR3 | |
| SCHEMBL5218706 | 0.88 | TACR1 (0.57) | TACR1TACR3 | |
| SCHEMBL4815566 | 0.88 | TACR1 (0.57) | TACR1TACR3 | |
| SCHEMBL14017631 | 0.87 | TACR1 (0.66) | TACR1TACR3USP2 | |
| SCHEMBL4817425 | 0.87 | TACR1 (0.66) | TACR1TACR3USP2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |