Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | USP2 | O75604 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19355281 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355460 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355476 | 0.86 | FAAH (0.42) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355128 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL17634695 | 0.85 | PRKDC (0.46) | SCN9ASLC40A1WDR5PREPFAAH | |
| SCHEMBL19355266 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355473 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355284 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL19355525 | 0.83 | PRKDC (0.39) | SCN9ASLC40A1WDR5FAAH | |
| SCHEMBL19355526 | 0.83 | PRKDC (0.39) | SCN9ASLC40A1WDR5FAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |