Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
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) | ARALDH1A1GAAENPP1GABRP | |
| SCHEMBL7701995 | 0.80 | CYP11B1 (0.37) | ALDH1A1CYP11B1CYP11B2MAPTTRPV1 | |
| SCHEMBL7705200 | 0.79 | PGR (0.50) | ARGLACYP11B1CYP11B2ENPP1 | |
| SCHEMBL7465724 | 0.79 | KIF11 (0.41) | ALDH1A1HPGDGLAGAACYP11B2 | |
| SCHEMBL25844613 | 0.79 | AR (0.49) | ARALDH1A1HPGDGLAGAA | |
| SCHEMBL8463154 | 0.74 | AR (0.42) | ARALDH1A1GAACYP11B1CYP11B2 | |
| SCHEMBL1403790 | 0.72 | PDK2 (0.38) | ARALDH1A1HPGDGLAGAA | |
| SCHEMBL26373611 | 0.72 | AR (0.42) | ARALDH1A1HPGDGLAGAA | |
| SCHEMBL7699908 | 0.72 | AHR (0.45) | ARAKR1C3AKR1C2 | |
| SCHEMBL6941941 | 0.72 | ACHE (0.40) | ARALDH1A1HPGDACHETDP1 |
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 |