Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9652313 | 0.94 | HPGD (0.61) | HPGDALDH1A1TSHROPRM1OPRD1 | |
| SCHEMBL10724585 | 0.89 | HPGD (0.61) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL2482692 | 0.85 | HPGD (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL11221195 | 0.85 | HPGD (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL14056510 | 0.85 | HPGD (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL29710844 | 0.85 | HPGD (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL1023064 | 0.84 | HPGD (0.67) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL570949 | 0.84 | HPGD (0.56) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL9632099 | 0.84 | HPGD (0.56) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL6675903 | 0.84 | HPGD (0.56) | HPGDALDH1A1CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5446189-A | Diester intermediates for diacid enzyme inhibitor | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5324747-A | Treatment of inflammatory diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0579066-A2 | N-substituted anilines | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-19 | — | — | EP | disclosed |