Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 6/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.38 |
| ▸ | PPOX | P50336 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9672313 | 0.84 | AKR1B1 (0.38) | AKR1B1AKR1A1TDP2 | |
| SCHEMBL9671764 | 0.81 | AKR1B1 (0.41) | AKR1B1AKR1A1PPOXCES1CMA1 | |
| SCHEMBL9674044 | 0.73 | AKR1B1 (0.38) | AKR1B1AKR1A1PPOXCES1CCNB2 | |
| SCHEMBL9672798 | 0.73 | AKR1B1 (0.71) | AKR1B1AKR1A1PPOX | |
| SCHEMBL9672186 | 0.72 | AKR1B1 (0.56) | AKR1B1AKR1A1PPOXCCNB2CDK1 | |
| SCHEMBL20850099 | 0.70 | CASP3 (0.37) | AKR1B1AKR1A1PPOXCASP3S100A4 | |
| SCHEMBL20850164 | 0.66 | PDK2 (0.44) | AKR1B1AKR1A1PPOXCASP3S100A4 | |
| SCHEMBL9672482 | 0.65 | AKR1B1 (0.41) | AKR1B1AKR1A1 | |
| SCHEMBL20850246 | 0.63 | MEN1 (0.32) | CASP3 | |
| SCHEMBL20850470 | 0.61 | HRH1 (0.33) | CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4537892-A | ANTIDIABETIC AGENTS | ALCON LABORATORIES, INC. (US) | 1985-08-27 | — | — | US | disclosed |