Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CPB1 | P15086 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL22920135 | 0.77 | HDAC1 (0.43) | NPC1RAB9AALDH1A1KDM4EGAA | |
| SCHEMBL22920150 | 0.72 | CPB2 (0.54) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL26246698 | 0.72 | CPB2 (0.48) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL17615544 | 0.72 | CPB2 (0.51) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL22920147 | 0.70 | CDK5 (0.50) | NPC1RAB9AALDH1A1KDM4ECDK5 | |
| SCHEMBL25261308 | 0.69 | CPB2 (0.42) | ALDH1A1GAACPB2CDK5CDK5R1 | |
| SCHEMBL5470662 | 0.69 | CPB2 (0.54) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL19141762 | 0.69 | CPB2 (0.54) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL19141821 | 0.69 | CPB2 (0.54) | CPB2CDK5CDK5R1CPB1 | |
| SCHEMBL20080534 | 0.69 | CPB2 (0.54) | CPB2CDK5CDK5R1CPB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021016333-A1 | ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS | UNIVERSITY OF HAWAII (US) | 2021-01-28 | — | — | WO | disclosed |