Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2096402 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL22700982 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL10725515 | 0.82 | NQO1 (0.43) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL2559819 | 0.81 | HTT (0.45) | ALDH1A1APLNRKDM1AMAOAMAOB | |
| SCHEMBL30105464 | 0.81 | APLNR (0.58) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL2845262 | 0.81 | APLNR (0.58) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL2843664 | 0.80 | PTPN1 (0.54) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL12717376 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL14775356 | 0.80 | L3MBTL1 (0.38) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL9226953 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TP53CYP3A4ALOX15TSHR |
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 |