Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702031 | 0.83 | AR (0.41) | ARCYP11B1CYP11B2RAB9AGLA | |
| SCHEMBL7704880 | 0.81 | KDM4E (0.33) | PGRRAB9AKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL7701994 | 0.80 | CYP11B1 (0.36) | CYP11B1CYP11B2KDM4EAHR | |
| SCHEMBL7705238 | 0.79 | KIF11 (0.44) | CYP11B2RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7955018 | 0.75 | PGR (0.43) | PGRARCYP11B1CYP11B2RAB9A | |
| SCHEMBL7699906 | 0.74 | AHR (0.39) | RAB9AKDM4EKMT2AMAPTAHR | |
| SCHEMBL11287914 | 0.73 | NOTUM (0.43) | — | |
| SCHEMBL7702101 | 0.72 | TOP1 (0.35) | L3MBTL1MEN1KMT2APTGS2 | |
| SCHEMBL7062255 | 0.72 | KIF11 (0.36) | — | |
| SCHEMBL6221853 | 0.72 | CACNA1H (0.33) | MAPTACHE |
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 |