Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13599501 | 0.85 | ALDH1A1 (0.42) | ALDH1A1NPSR1CYP3A4CA2KDM4E | |
| SCHEMBL1403495 | 0.77 | CA2 (0.65) | ALDH1A1NPSR1CA2KDM4ECA1 | |
| SCHEMBL15181144 | 0.77 | CA2 (0.46) | ALDH1A1NPSR1CYP3A4CA2KDM4E | |
| SCHEMBL4685210 | 0.76 | CA2 (0.47) | ALDH1A1NPSR1CYP3A4CA2KDM4E | |
| SCHEMBL4685207 | 0.76 | CA2 (0.44) | ALDH1A1NPSR1CYP3A4CA2KDM4E | |
| SCHEMBL2655186 | 0.76 | CA2 (0.44) | ALDH1A1NPSR1CYP3A4CA2KDM4E | |
| SCHEMBL3763570 | 0.75 | CYP3A4 (0.46) | ALDH1A1NPSR1CYP3A4KDM4ECCR2 | |
| SCHEMBL92958 | 0.75 | S1PR1 (0.51) | ALDH1A1NPSR1CYP3A4KDM4ECCR2 | |
| SCHEMBL9073026 | 0.75 | CYP3A4 (0.46) | ALDH1A1NPSR1CYP3A4KDM4ECCR2 | |
| SCHEMBL12107538 | 0.74 | CYP3A4 (0.54) | ALDH1A1NPSR1CYP3A4CA2KDM4E |
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 |