Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL8964689 | 0.83 | KDM4E (0.57) | CYP3A4CYP19A1KDM4EMAPTAPEX1 | |
| SCHEMBL27899502 | 0.83 | MAOA (0.43) | CYP17A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL1338001 | 0.78 | KDM4E (0.52) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL545298 | 0.78 | CA1 (0.61) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL30058625 | 0.78 | CA1 (0.61) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8964697 | 0.78 | ESR1 (0.61) | CYP3A4DBHKDM4EMAPTAPEX1 | |
| SCHEMBL156006 | 0.78 | GAA (0.68) | KDM4EMAPTAPEX1THPOHIF1A | |
| SCHEMBL11398795 | 0.76 | CA2 (0.53) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5702050 | 0.76 | GAA (0.46) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8965235 | 0.76 | MEP1B (0.39) | DBHESR1ESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |