Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC5 | O15392 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6561562 | 0.71 | PLA2G2A (0.37) | CYP19A1SRD5A1PLA2G2ACASRALDH1A1 | |
| SCHEMBL2002745 | 0.69 | SRD5A1 (0.34) | SRD5A1PLA2G2AALDH1A1XDHGABRA1 | |
| SCHEMBL6561182 | 0.68 | ALDH1A1 (0.47) | CYP19A1PLA2G2AALDH1A1HTTXDH | |
| SCHEMBL6398012 | 0.68 | SRD5A1 (0.49) | SRD5A1ALDH1A1XDHGABRA1GABRB2 | |
| SCHEMBL323547 | 0.66 | XDH (0.54) | SRD5A1ALDH1A1HTTXDHGABRA1 | |
| Hydrogen Sulfide SCHEMBL6721312 | 0.64 | XDH (0.52) | SRD5A1ALDH1A1XDHGABRA1GABRB2 | |
| SCHEMBL7856928 | 0.64 | SRD5A1 (0.40) | SRD5A1PLA2G2ACASRALDH1A1KDM4E | |
| SCHEMBL2454840 | 0.64 | SRD5A1 (0.45) | SRD5A1PLA2G2AALDH1A1XDHGABRA1 | |
| SCHEMBL10639712 | 0.62 | CYP3A4 (0.46) | SRD5A1PLA2G2AALDH1A1ALOX15HTT | |
| SCHEMBL6981762 | 0.62 | ALDH1A1 (0.50) | BIRC5CYP19A1ALDH1A1ALOX15HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |