Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1A1 | P14550 | 17/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 17/20 | 0.60 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9672265 | 0.91 | AKR1B1 (0.51) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9674037 | 0.87 | AKR1B1 (0.48) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9671730 | 0.87 | AKR1A1 (0.48) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL20845828 | 0.85 | AKR1A1 (0.72) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL5953411 | 0.79 | AKR1A1 (0.53) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9751720 | 0.78 | AKR1B1 (0.45) | AKR1A1AKR1B1ITGA4 | |
| Imirestat SCHEMBL49034 | 0.75 | AKR1A1 (1.00) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9672199 | 0.75 | AKR1A1 (0.71) | AKR1A1AKR1B1 | |
| SCHEMBL9672136 | 0.73 | CYP2C9 (0.53) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9672184 | 0.73 | AKR1B1 (0.46) | AKR1A1AKR1B1ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5153211-A | Enzyme inhibitors | ALCON LABORATORIES, INC. (US) | 1992-10-06 | — | — | US | disclosed |
| US-4864028-A | ANTIDIABETIC AGENTS | ALCON LABORATORIES, INC. (US) | 1989-09-05 | — | — | US | disclosed |