Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 14/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.44 |
| ▸ | USP2 | O75604 | 10/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22838473 | 0.93 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905109 | 0.91 | CYP1A2 (0.39) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19819881 | 0.91 | CYP1A2 (0.45) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905327 | 0.91 | CYP1A2 (0.43) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355284 | 0.90 | CYP1A2 (0.50) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905428 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355399 | 0.89 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355271 | 0.88 | PRKDC (0.43) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905362 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355595 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 |
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 |