Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.33 |
| ▸ | USP2 | O75604 | 6/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 4/20 | 0.33 |
| ▸ | BCR | P11274 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19355618 | 0.87 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19355152 | 0.87 | KDM4E (0.37) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL22838776 | 0.86 | CYP1A2 (0.37) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19905429 | 0.86 | CYP1A2 (0.35) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19355604 | 0.86 | FFAR4 (0.37) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19905266 | 0.86 | PRKDC (0.37) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL17634893 | 0.85 | PRKDC (0.43) | ABL1BCRFAAHALOX5APFEN1 | |
| SCHEMBL19905405 | 0.85 | FEN1 (0.36) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19355619 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4USP2CYP2C19 | |
| SCHEMBL19355603 | 0.84 | FAAH (0.35) | CYP1A2CYP3A4CLK4USP2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3459942-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2020-12-30 | — | — | EP | disclosed |
| EP-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |