Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704880 | 0.85 | KDM4E (0.33) | KDM4ECES2KIF11 | |
| SCHEMBL7702031 | 0.83 | AR (0.41) | CYP11B1CYP11B2CA1CA2CA5A | |
| SCHEMBL7705238 | 0.83 | KIF11 (0.44) | CYP11B2KDM4ECES2KIF11 | |
| SCHEMBL7705198 | 0.80 | PGR (0.44) | CYP11B1CYP11B2KDM4EAHR | |
| SCHEMBL7699906 | 0.78 | AHR (0.39) | KDM4ENOTUMAHR | |
| SCHEMBL19002930 | 0.78 | — | — | |
| SCHEMBL11287914 | 0.77 | NOTUM (0.43) | NOTUMCES2KDM1AKIF11 | |
| SCHEMBL7702101 | 0.75 | TOP1 (0.35) | CES2 | |
| SCHEMBL17024091 | 0.73 | AHR (0.31) | AHR | |
| SCHEMBL7705830 | 0.73 | GAA (0.39) | KDM4ENOTUM |
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 |