Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 11/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | SCN1A | P35498 | 1/20 | 0.55 |
| ▸ | SCN4A | P35499 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.55 |
| ▸ | AKR1A1 | P14550 | 10/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20290102 | 1.00 | AKR1B1 (0.73) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL11090370 | 0.91 | AKR1B1 (0.86) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL3660535 | 0.91 | CYP2C9 (0.64) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL4560525 | 0.84 | AKR1B1 (1.00) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL895848 | 0.84 | AKR1B1 (1.00) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL2739126 | 0.84 | AKR1B1 (1.00) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL10929665 | 0.84 | CYP2C9 (0.79) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL11095314 | 0.80 | AKR1B1 (0.69) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL20291006 | 0.79 | CYP2C9 (0.59) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT | |
| SCHEMBL11090553 | 0.76 | AKR1B1 (0.63) | AKR1B1CYP2C9CACNA1FALDH1A1MAPT |
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-2018109496-A2 | UNNATURAL AMINO ACIDS | THE UNIVERSITY OF BRISTOL (GB) | 2018-06-21 | — | — | WO | disclosed |