Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 1/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.61 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.61 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.61 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TGM2 | P21980 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10061666 | 1.00 | ROS1 (0.61) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL6234341 | 0.85 | ALDH1A1 (0.50) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL281743 | 0.82 | ROS1 (0.67) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL29657257 | 0.82 | ROS1 (0.67) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| Nitrogen SCHEMBL27949798 | 0.78 | ROS1 (0.62) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL14985676 | 0.77 | ACVR1 (0.83) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL15145691 | 0.77 | ROS1 (0.61) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL13534141 | 0.77 | ROS1 (0.61) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL18462586 | 0.77 | ACVR1 (0.83) | ROS1CDK5ACVR1LRRK2CSNK1G1 | |
| SCHEMBL13081085 | 0.77 | TGM2 (0.67) | LRRK2KDM4EMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | claimed |
| CN-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | disclosed |