Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7705234 | 0.93 | TACR1 (0.56) | TACR1TSHR | |
| SCHEMBL7702013 | 0.82 | TACR1 (0.55) | TACR1 | |
| SCHEMBL6489693 | 0.81 | TACR1 (0.78) | TACR1 | |
| Water SCHEMBL6478871 | 0.80 | TACR1 (0.76) | TACR1 | |
| SCHEMBL6478575 | 0.73 | TACR1 (0.81) | TACR1 | |
| SCHEMBL7705392 | 0.70 | TACR1 (0.52) | TACR1 | |
| Water SCHEMBL6479022 | 0.70 | TACR1 (0.82) | TACR1 | |
| Water SCHEMBL6479026 | 0.70 | TACR1 (0.82) | TACR1 | |
| SCHEMBL6481341 | 0.69 | TACR1 (0.80) | TACR1 | |
| SCHEMBL6478537 | 0.69 | TACR1 (1.00) | 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 |