Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 8/20 | 0.40 |
| ▸ | BCR | P11274 | 8/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 6/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17874676 | 0.93 | ABL1 (0.41) | ABL1BCRCCNB2CDK1CCNB1 | |
| SCHEMBL19905258 | 0.91 | PRKDC (0.37) | ABL1BCRFAAHPRKDC | |
| SCHEMBL19905448 | 0.85 | FAAH (0.47) | FAAHPRKDCALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL17874678 | 0.84 | PRKDC (0.42) | ABL1BCRCCNB2CDK1CCNB1 | |
| SCHEMBL15473150 | 0.84 | PRKDC (0.42) | ABL1BCRCCNB2CDK1CCNB1 | |
| SCHEMBL19905481 | 0.82 | PRKDC (0.40) | FAAHPRKDCCYP1A2CYP2D6CLK4 | |
| SCHEMBL19905365 | 0.81 | PRKDC (0.41) | FAAHPRKDC | |
| SCHEMBL19905491 | 0.80 | PRKDC (0.44) | ABL1BCRFAAHPRKDC | |
| SCHEMBL19905441 | 0.79 | PRKDC (0.44) | ABL1BCRFAAHPRKDCALDH1A1 | |
| SCHEMBL20415081 | 0.79 | CCNB2 (0.34) | ABL1BCRCCNB2CDK1CCNB1 |
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 |