Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7699781 | 0.86 | TACR1 (0.61) | TACR1ABCB1KCNH2 | |
| SCHEMBL7705791 | 0.82 | TACR1 (0.47) | TACR1ABCB1KCNH2 | |
| SCHEMBL7705823 | 0.80 | TACR1 (0.44) | TACR1ABCB1KCNH2 | |
| SCHEMBL6478790 | 0.80 | TACR1 (0.79) | TACR1 | |
| SCHEMBL7705827 | 0.80 | TACR1 (0.56) | TACR1ABCB1KCNH2 | |
| SCHEMBL7702105 | 0.79 | TACR1 (0.47) | TACR1ABCB1KCNH2 | |
| SCHEMBL7699833 | 0.79 | TACR1 (0.49) | TACR1ABCB1KCNH2 | |
| SCHEMBL7704911 | 0.79 | TACR1 (0.57) | TACR1ABCB1KCNH2 | |
| SCHEMBL7704919 | 0.79 | TACR1 (0.54) | TACR1 | |
| SCHEMBL7704903 | 0.79 | TACR1 (0.48) | TACR1KCNH2 |
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 |