Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TTR | P02766 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | DBH | P09172 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8965235 | 0.74 | MEP1B (0.39) | DBHESR1ESR2 | |
| SCHEMBL8965489 | 0.73 | ACHE (0.48) | CYP3A4LCKACHEPTGS2 | |
| SCHEMBL5801817 | 0.73 | CA2 (0.62) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL70208 | 0.72 | HSD17B10 (0.55) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL7885118 | 0.72 | HSD17B10 (0.55) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL11557402 | 0.71 | CA2 (0.48) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL12312513 | 0.71 | TTR (0.45) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL8964763 | 0.71 | ALDH1A1 (0.42) | CYP3A4ALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL737479 | 0.70 | HSD17B10 (0.52) | HSD17B10TSHRCYP3A4TTRRECQL | |
| SCHEMBL4498586 | 0.70 | HSD17B10 (0.46) | HSD17B10TSHRCYP3A4TTRRECQL |
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-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 |
| EP-0410380-A2 | Novel process for the synthesis of 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 |