Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | XPO1 | O14980 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.32 |
| ▸ | VEGFA | P15692 | 1/20 | 0.31 |
| ▸ | ARNT | P27540 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | DCTPP1 | Q9H773 | 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 | |
|---|---|---|---|---|
| SCHEMBL11816808 | 0.89 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11819346 | 0.81 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11818396 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11827944 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2C19EPAS1VEGFAARNT | |
| SCHEMBL11867059 | 0.78 | KMT2A (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11813265 | 0.78 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11867053 | 0.77 | EPAS1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11810808 | 0.77 | LMNA (0.39) | ALDH1A1EPAS1DCTPP1 | |
| SCHEMBL11865094 | 0.76 | ABL1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11869452 | 0.76 | EPAS1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-3954792-A | 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |