Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15343263 | 0.86 | NPC1 (0.48) | NPC1POLBRAB9ATRPV1CYP1A2 | |
| SCHEMBL16664932 | 0.83 | EGFR (0.42) | TRPV1CYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL4293450 | 0.79 | FAAH (0.67) | FAAH | |
| SCHEMBL3407630 | 0.79 | FAAH (0.67) | FAAH | |
| SCHEMBL1230821 | 0.79 | FAAH (0.50) | FAAH | |
| SCHEMBL9899239 | 0.79 | FAAH (0.50) | FAAH | |
| SCHEMBL15343087 | 0.79 | AURKA (0.56) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL17634575 | 0.78 | PRKDC (0.44) | NPC1POLBRAB9ATRPV1FAAH | |
| SCHEMBL19355408 | 0.78 | TRPV1 (0.41) | NPC1POLBRAB9ATRPV1CYP1A2 | |
| SCHEMBL15342935 | 0.77 | FAAH (0.48) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19 |
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-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |