Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11169141 | 0.89 | ALDH1A1 (0.62) | ALDH1A1CYP2C9PPARGRECQLAKR1B1 | |
| SCHEMBL11160841 | 0.88 | AKR1B1 (0.58) | ALDH1A1CYP2C9PPARGAKR1B1GAA | |
| SCHEMBL11596000 | 0.87 | ALDH1A1 (0.62) | ALDH1A1CYP2C9PPARGRECQLAKR1B1 | |
| SCHEMBL11166550 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP2C9PPARGRECQLAKR1B1 | |
| SCHEMBL11165367 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2C9PPARGRECQLAKR1B1 | |
| SCHEMBL11168591 | 0.80 | CYP2C9 (0.66) | ALDH1A1CYP2C9PPARGAKR1B1SMN1; SMN2 | |
| SCHEMBL11167391 | 0.80 | CYP2C9 (0.78) | ALDH1A1CYP2C9PPARGAKR1B1GAA | |
| SCHEMBL11169713 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP2C9PPARGRECQLSLC6A4 | |
| Hydrochloric Acid SCHEMBL11168599 | 0.79 | CYP2C9 (0.76) | ALDH1A1CYP2C9PPARGAKR1B1GAA | |
| SCHEMBL11170601 | 0.79 | CYP2C9 (0.67) | ALDH1A1CYP2C9PPARGGAAL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4393062-A | ALDOSE REDUCTASE INHIBITOR | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-07-12 | — | — | US | disclosed |
| EP-0002895-B1 | ENZYME INHIBITORY PHTHALAZIN-4-YLACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-10-14 | — | — | EP | disclosed |
| US-4251528-A | ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-02-17 | — | — | US | disclosed |
| EP-0002895-A1 | Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-07-11 | — | — | EP | disclosed |