Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.36 |
| ▸ | GLRB | P48167 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30516092 | 0.83 | MKNK2 (0.49) | CYP2A6S1PR1CYP11B2CYP11B1 | |
| SCHEMBL30516097 | 0.81 | MKNK1 (0.47) | ALDH1A1KDM4E | |
| SCHEMBL3715051 | 0.81 | ATM (0.69) | ATMCYP2A6S1PR1CYP11B2CYP11B1 | |
| SCHEMBL29045125 | 0.79 | NPC1 (0.52) | ALDH1A1NEK1CDK8 | |
| SCHEMBL1315442 | 0.78 | ATM (0.57) | ATMCYP2A6S1PR1CYP11B2CYP11B1 | |
| SCHEMBL24921196 | 0.75 | CYP1A1 (0.46) | CYP11B2CYP11B1 | |
| SCHEMBL56951 | 0.75 | ATM (0.77) | ATMCYP2A6CYP11B2CYP11B1ALDH1A1 | |
| SCHEMBL31705819 | 0.74 | ATM (0.60) | ATMCYP2A6S1PR1CYP11B2CYP11B1 | |
| SCHEMBL31706820 | 0.74 | ATM (0.60) | ATMCYP2A6S1PR1CYP11B2CYP11B1 | |
| Hydrochloric Acid SCHEMBL2298745 | 0.73 | ATM (0.74) | ATMCYP2A6CYP11B2CYP11B1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | disclosed |