Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1516397 | 0.81 | CYSLTR1 (0.78) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL10995142 | 0.80 | CYSLTR1 (0.76) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| SCHEMBL10823330 | 0.79 | CYSLTR1 (0.63) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| SCHEMBL10995137 | 0.79 | CYSLTR1 (0.63) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| SCHEMBL8874138 | 0.78 | CYSLTR1 (0.59) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| 8-Methoxyflavone SCHEMBL26180800 | 0.77 | ALDH1A1 (0.74) | CYP3A4HPGDALDH1A1CYP2C19MAPT | |
| SCHEMBL10994445 | 0.76 | CYSLTR1 (0.78) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| SCHEMBL2148872 | 0.75 | CYP1A2 (0.55) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL10987922 | 0.75 | CYSLTR1 (0.76) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 | |
| SCHEMBL8807539 | 0.75 | CYSLTR1 (0.69) | CYSLTR1CYP3A4HPGDALDH1A1CYP2C19 |
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-4628107-A | CARDIOTONIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-12-09 | — | — | US | disclosed |