Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 16/20 | 0.56 |
| ▸ | AKR1A1 | P14550 | 13/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23178938 | 0.80 | AKR1A1 (0.60) | AKR1B1AKR1A1 | |
| SCHEMBL23179243 | 0.79 | ITGA4 (0.51) | AKR1B1AKR1A1HTR2A | |
| SCHEMBL1201500 | 0.76 | AKR1A1 (0.66) | AKR1B1AKR1A1 | |
| SCHEMBL5953411 | 0.75 | AKR1A1 (0.53) | AKR1B1AKR1A1 | |
| SCHEMBL25892758 | 0.75 | AKR1A1 (0.69) | AKR1B1AKR1A1 | |
| Imirestat SCHEMBL49034 | 0.73 | AKR1A1 (1.00) | AKR1B1AKR1A1 | |
| Imirestat SCHEMBL30924520 | 0.73 | AKR1A1 (1.00) | AKR1B1AKR1A1 | |
| SCHEMBL11070824 | 0.72 | KMT2A (0.49) | AKR1B1AKR1A1HTR2AHTR2CHTR2B | |
| SCHEMBL20845832 | 0.71 | AKR1A1 (1.00) | AKR1B1AKR1A1 | |
| SCHEMBL10927385 | 0.71 | AKR1A1 (0.82) | AKR1B1AKR1A1 |
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-2021061763-A1 | ALDOKETO REDUCTASE INHIBITORS AND USES THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 2021-04-01 | — | — | WO | disclosed |