Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1A1 | P14550 | 17/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 17/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9674019 | 0.89 | AKR1A1 (0.71) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9673307 | 0.80 | ITGA4 (0.68) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9810984 | 0.79 | AKR1A1 (0.88) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9810968 | 0.77 | ITGA4 (0.73) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9672798 | 0.76 | AKR1B1 (0.71) | AKR1A1AKR1B1ITGA4 | |
| Imirestat SCHEMBL49034 | 0.75 | AKR1A1 (1.00) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL9672255 | 0.73 | AKR1A1 (0.71) | AKR1A1AKR1B1ITGA4 | |
| Alconil SCHEMBL30661866 | 0.71 | AKR1A1 (0.85) | AKR1A1AKR1B1ITGA4 | |
| Alconil SCHEMBL1201487 | 0.71 | AKR1A1 (0.85) | AKR1A1AKR1B1ITGA4 | |
| SCHEMBL21095648 | 0.70 | AKR1A1 (0.76) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4609663-A | Aldose reductase inhibitors useful in glaucoma therapy | ALCON LABORATORIES, INC. (US) | 1986-09-02 | — | — | US | claimed |
| US-4717725-A | SPIROCYCLIC AROMATIC IMIDES | ALCON LABORATORIES, INC. (US) | 1988-01-05 | — | — | US | disclosed |
| US-4609663-A | Aldose reductase inhibitors useful in glaucoma therapy | ALCON LABORATORIES, INC. (US) | 1986-09-02 | — | — | US | disclosed |
| US-4600717-A | Aldose reductase inhibitors useful in ophthalmic wound healing | ALCON LABORATORIES, INC. (US) | 1986-07-15 | — | — | US | disclosed |