Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 8/20 | 0.43 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.41 |
| ▸ | AOC1 | P19801 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15784053 | 1.00 | LCK (0.46) | LCKBTKSIRT3TDP1ABL1 | |
| SCHEMBL15771446 | 0.85 | CCNC (0.46) | SIRT3TDP1ABL1CYP1A2AOC1 | |
| SCHEMBL3421743 | 0.84 | TDO2 (0.49) | SIRT3TDP1ABL1CYP1A2CYP2E1 | |
| SCHEMBL29988790 | 0.84 | TDO2 (0.49) | SIRT3TDP1ABL1CYP1A2CYP2E1 | |
| SCHEMBL17506374 | 0.84 | AOC1 (0.52) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4434876 | 0.84 | GPBAR1 (0.43) | LCKBTKTDP1CYP1A2CYP3A4 | |
| SCHEMBL19059572 | 0.80 | CYP17A1 (0.46) | SIRT3TDP1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL29765319 | 0.80 | — | — | |
| SCHEMBL295409 | 0.80 | — | — | |
| SCHEMBL15791344 | 0.80 | ATR (0.42) | LCKBTKSIRT3TDP1ABL1 |
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-4190786-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2023-06-07 | — | — | EP | disclosed |
| EP-3808749-B1 | PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES | VERTEX PHARMA (US) | 2023-03-08 | — | — | EP | disclosed |