Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 2/20 | 0.50 |
| ▸ | ADH1C | P00326 | 2/20 | 0.50 |
| ▸ | ADH1A | P07327 | 2/20 | 0.50 |
| ▸ | ADH7 | P40394 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ADH4 | P08319 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | SI | P14410 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5528695 | 1.00 | ADH1B (0.50) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL8176277 | 0.98 | CYP1A2 (0.52) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL5651631 | 0.94 | CYP1A2 (0.52) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL1938229 | 0.86 | GAA (0.50) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL31442225 | 0.86 | CYP1A2 (0.55) | ALDH1A1TSHRCYP3A4ALOX15HSD17B10 | |
| SCHEMBL9099964 | 0.86 | DGKA (0.56) | ADH1BADH1CADH1AADH7ALDH1A1 | |
| SCHEMBL17814943 | 0.84 | CYP1A2 (0.48) | ALDH1A1TSHRCYP3A4ALOX15HSD17B10 | |
| SCHEMBL132536 | 0.83 | CYP1A2 (0.52) | ALDH1A1TSHRCYP3A4ALOX15HSD17B10 | |
| SCHEMBL130596 | 0.83 | CYP1A2 (0.52) | ALDH1A1TSHRCYP3A4ALOX15HSD17B10 | |
| SCHEMBL7488988 | 0.83 | DGKA (0.62) | ADH1BADH1CADH1AADH7ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3987091-A | RENAL VASODILATORS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | disclosed |