Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL162277 | 0.83 | RAB9A (0.40) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL29648862 | 0.83 | RAB9A (0.40) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL10886564 | 0.78 | CYP3A4 (0.44) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL7704447 | 0.73 | CYP3A4 (0.33) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL8593598 | 0.73 | MAPK1 (0.47) | CYP3A4TDP1MAPK1CYP1A2CYP2D6 | |
| SCHEMBL7525499 | 0.73 | ALDH1A1 (0.54) | CYP3A4TDP1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL10316536 | 0.72 | TDP1 (0.42) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL30111366 | 0.72 | TDP1 (0.42) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL29574363 | 0.71 | TDP1 (0.38) | CYP3A4TDP1ALDH1A1HPGDMAPK1 | |
| SCHEMBL163398 | 0.71 | TDP1 (0.38) | CYP3A4TDP1ALDH1A1HPGDMAPK1 |
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-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |