Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7702032 | 0.79 | AR (0.46) | ARCYP11B1CYP11B2KDM4EGLA | |
| SCHEMBL7955020 | 0.78 | PGR (0.47) | PGRARCYP11B1CYP11B2KDM4E | |
| SCHEMBL7704882 | 0.77 | KDM4E (0.37) | ARKDM4EMAPTACHEENPP1 | |
| SCHEMBL7701995 | 0.76 | CYP11B1 (0.37) | CYP11B1CYP11B2KDM4EMAPT | |
| SCHEMBL7465724 | 0.75 | KIF11 (0.41) | CYP11B2KDM4EGLAMAPTACHE | |
| SCHEMBL730765 | 0.73 | CA12 (0.46) | KDM4EMAPTACHECA12CA1 | |
| SCHEMBL20323072 | 0.71 | CA1 (0.69) | KDM4EMAPTACHECA12CA1 | |
| SCHEMBL2290039 | 0.70 | AR (0.33) | PGRAR | |
| SCHEMBL5803017 | 0.69 | ABL1 (0.55) | PGRARMAPTENPP1MEN1 | |
| SCHEMBL7705198 | 0.69 | PGR (0.44) | PGRARCYP11B1CYP11B2KDM4E |
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 |