Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.52 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7701982 | 0.90 | TACR1 (0.53) | TACR1USP2SMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL7705392 | 0.85 | TACR1 (0.52) | TACR1 | |
| SCHEMBL6479302 | 0.81 | TACR1 (0.79) | TACR1 | |
| SCHEMBL7699844 | 0.77 | TACR1 (0.55) | TACR1 | |
| SCHEMBL6479244 | 0.72 | TACR1 (0.79) | TACR1 | |
| Water SCHEMBL6479022 | 0.69 | TACR1 (0.82) | TACR1 | |
| Water SCHEMBL6479026 | 0.69 | TACR1 (0.82) | TACR1 | |
| SCHEMBL8973991 | 0.69 | USP2 (0.56) | TACR1USP2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL6478537 | 0.68 | TACR1 (1.00) | TACR1 | |
| SCHEMBL6480800 | 0.68 | TACR1 (0.83) | TACR1 |
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-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |