Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704882 | 0.82 | KDM4E (0.37) | KDM4EALDH1A1KIF11MAPT | |
| SCHEMBL7702032 | 0.80 | AR (0.46) | CYP11B1CYP11B2KDM4EALDH1A1TRPV1 | |
| SCHEMBL7465724 | 0.79 | KIF11 (0.41) | CYP11B2KDM4EALDH1A1KIF11MAPT | |
| SCHEMBL7705200 | 0.76 | PGR (0.50) | CYP11B1CYP11B2KDM4EMAPT | |
| SCHEMBL7699908 | 0.72 | AHR (0.45) | IKBKBCHUK | |
| SCHEMBL2283793 | 0.71 | — | — | |
| SCHEMBL7702104 | 0.71 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL1403790 | 0.68 | PDK2 (0.38) | KDM4EALDH1A1KIF11MAPT | |
| SCHEMBL11287918 | 0.68 | MAP4K4 (0.45) | MAPK1KDM1AMAPTIKBKB | |
| SCHEMBL8667082 | 0.67 | MPL (0.42) | KIF11 |
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 |