Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 4/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | CCRL2 | O00421 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7699842 | 0.89 | TACR1 (0.43) | ALDH1A1KDM4ETACR1SLC6A4CCR2 | |
| SCHEMBL7704919 | 0.83 | TACR1 (0.54) | ALDH1A1KDM4ETACR1MEN1KMT2A | |
| SCHEMBL7705823 | 0.83 | TACR1 (0.44) | TACR1KCNH2 | |
| SCHEMBL7702105 | 0.82 | TACR1 (0.47) | KDM4ETACR1MEN1KMT2AKCNH2 | |
| SCHEMBL7705623 | 0.78 | TACR1 (0.56) | TACR1KCNH2 | |
| SCHEMBL7707683 | 0.78 | TACR1 (0.55) | TACR1KCNH2 | |
| SCHEMBL7705827 | 0.77 | TACR1 (0.56) | TACR1KCNH2 | |
| SCHEMBL7699833 | 0.77 | TACR1 (0.49) | TACR1KCNH2 | |
| SCHEMBL7705390 | 0.75 | TACR1 (0.60) | TACR1KCNH2 | |
| SCHEMBL7699901 | 0.75 | TACR1 (0.59) | 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 |