Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23178937 | 0.79 | AKR1B1 (0.56) | HTR2AAKR1B1AKR1A1 | |
| SCHEMBL23179246 | 0.78 | ITGA4 (0.56) | ITGA4KMT2ACACNA1FALDH1A1MAPT | |
| SCHEMBL542982 | 0.74 | KMT2A (0.49) | ITGA4GAAKMT2AAKR1B1 | |
| SCHEMBL11097652 | 0.72 | ITGA4 (0.53) | ITGA4GAACACNA1FALDH1A1MAPT | |
| SCHEMBL25892756 | 0.71 | AKR1B1 (0.69) | ITGA4GAACACNA1FALDH1A1MAPT | |
| SCHEMBL12502546 | 0.70 | PTGER3 (0.45) | ITGA4CACNA1FALDH1A1MAPTCYP2C9 | |
| SCHEMBL11096542 | 0.70 | ITGA4 (0.53) | ITGA4GAAKMT2ACACNA1FALDH1A1 | |
| SCHEMBL11041928 | 0.69 | KMT2A (0.71) | GAAKMT2A | |
| SCHEMBL31195728 | 0.69 | ITGA4 (1.00) | ITGA4GAACACNA1FALDH1A1MAPT | |
| SCHEMBL9810959 | 0.69 | ITGA4 (1.00) | ITGA4GAACACNA1FALDH1A1MAPT |
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 |