Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CDK8 | P49336 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10338948 | 0.82 | CYP3A4 (0.74) | CYP3A4CYP1A2CYP2D6CDK8CLK4 | |
| SCHEMBL503571 | 0.80 | PLAAT3 (0.61) | CYP1A2PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL347209 | 0.80 | FFAR4 (0.61) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL7095615 | 0.79 | PPARA (0.59) | PLAAT3PLAAT5PLAAT2PLAAT4CA12 | |
| Hydrochloric Acid SCHEMBL3225386 | 0.78 | FFAR4 (0.59) | BLMPMP22KMT2AMEN1CA12 | |
| SCHEMBL7415347 | 0.77 | PPARA (0.58) | PLAAT3PLAAT5PLAAT2PLAAT4LDHA | |
| SCHEMBL11329203 | 0.77 | MEN1 (0.54) | CYP3A4CYP1A2CYP2D6CDK8CLK4 | |
| SCHEMBL11317127 | 0.77 | GAA (0.56) | CYP3A4CYP1A2CYP2D6CDK8CLK4 | |
| SCHEMBL6080143 | 0.76 | CYP1A2 (0.46) | CYP3A4CYP1A2CYP2D6CDK8CLK4 | |
| SCHEMBL14256688 | 0.76 | PLAAT3 (0.56) | PLAAT3PLAAT5PLAAT2PLAAT4CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999054321-A1 | SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |