Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10166461 | 0.80 | OPRD1 (0.42) | ALDH1A1HTTL3MBTL1MEN1KMT2A | |
| SCHEMBL28100845 | 0.78 | CYP2A6 (0.46) | CYP2A6CYP2E1CYP3A4ALDH1A1NPC1 | |
| SCHEMBL23576586 | 0.78 | PI4KA (0.46) | CYP2A6CYP2E1CYP3A4ALDH1A1NPC1 | |
| SCHEMBL6251508 | 0.77 | ALDH1A1 (0.54) | CYP2A6CYP2E1CYP3A4ALDH1A1NPC1 | |
| SCHEMBL30230906 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP2E1CYP3A4ALDH1A1ALOX12 | |
| SCHEMBL6251506 | 0.74 | ALDH1A1 (0.51) | CYP2A6CYP2E1CYP3A4ALDH1A1NPC1 | |
| SCHEMBL3607993 | 0.73 | CYP2A6 (0.55) | CYP2A6CYP2E1CYP3A4ALDH1A1ALOX12 | |
| SCHEMBL3609259 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP2E1CYP3A4ALDH1A1ALOX12 | |
| SCHEMBL6756652 | 0.71 | MAPT (0.49) | CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL30233195 | 0.71 | MAPK9 (0.40) | CYP2A6CYP2E1CYP3A4ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |