Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL7705823 | 0.97 | TACR1 (0.44) | TACR1ABCB1KCNH2L3MBTL1SIGMAR1 | |
| SCHEMBL7705390 | 0.88 | TACR1 (0.60) | TACR1ABCB1KCNH2SIGMAR1 | |
| SCHEMBL7704919 | 0.87 | TACR1 (0.54) | TACR1L3MBTL1KDM4ESIGMAR1MEN1 | |
| SCHEMBL7699901 | 0.87 | TACR1 (0.59) | TACR1ABCB1KCNH2SIGMAR1 | |
| SCHEMBL7699833 | 0.86 | TACR1 (0.49) | TACR1ABCB1KCNH2SIGMAR1 | |
| SCHEMBL7705827 | 0.82 | TACR1 (0.56) | TACR1ABCB1KCNH2SIGMAR1 | |
| SCHEMBL7702017 | 0.82 | ALDH1A1 (0.45) | TACR1KCNH2KDM4EMEN1KMT2A | |
| SCHEMBL7705623 | 0.81 | TACR1 (0.56) | TACR1KCNH2 | |
| SCHEMBL7707683 | 0.81 | TACR1 (0.55) | TACR1KCNH2 | |
| SCHEMBL7699913 | 0.81 | TACR1 (0.42) | TACR1ABCB1KCNH2SIGMAR1 |
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 |