Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 4/20 | 0.47 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220015 | 0.86 | ERAP1 (0.60) | ESR2ESR1KDM4EGAAALDH1A1 | |
| SCHEMBL11216726 | 0.80 | KDM4E (0.60) | ESR2ESR1KDM4EGAAALDH1A1 | |
| SCHEMBL6559867 | 0.78 | ESR1 (0.52) | ESR2ESR1KDM4EGAAALDH1A1 | |
| SCHEMBL6559983 | 0.76 | MAOB (0.43) | KDM4EGAAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6561597 | 0.75 | ALDH1A1 (0.51) | KDM4EGAAALDH1A1GLAERAP1 | |
| SCHEMBL10651585 | 0.73 | KDM4E (0.72) | KDM4EGAAALDH1A1GLAERAP1 | |
| SCHEMBL11079352 | 0.72 | GAA (0.63) | KDM4EGAAALDH1A1GLAERAP1 | |
| SCHEMBL6561714 | 0.70 | KDM4E (0.58) | KDM4EGAAALDH1A1GLAERAP1 | |
| SCHEMBL6559997 | 0.70 | GAA (0.71) | KDM4EGAAALDH1A1GLAERAP1 | |
| SCHEMBL10794043 | 0.70 | HSD17B3 (0.45) | ESR2ESR1HSD17B3SHBG |
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 |