Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.61 |
| ▸ | ROS1 | P08922 | 1/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.53 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14985677 | 0.87 | CSNK1G1 (0.77) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL5327486 | 0.79 | MAOA (0.63) | SMN1; SMN2ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL23242561 | 0.79 | ALDH1A1 (0.49) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL14985676 | 0.77 | ACVR1 (0.83) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL18462586 | 0.77 | ACVR1 (0.83) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL9980151 | 0.77 | CSNK1G1 (0.61) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL2756590 | 0.77 | CSNK1G1 (0.61) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL9185276 | 0.76 | CSNK1G1 (1.00) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL17656324 | 0.74 | SMN1; SMN2 (0.46) | CSNK1G1ROS1CDK5ACVR1LRRK2 | |
| SCHEMBL12124081 | 0.73 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1GAANPC1MAPT |
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-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |