Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 3/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.53 |
| ▸ | DHODH | Q02127 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RHEB | Q15382 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17848889 | 0.94 | AKR1C2 (0.53) | AKR1C2AKR1C1DHODHALDH1A1ALOX15 | |
| SCHEMBL505832 | 0.91 | AKR1C2 (0.61) | AKR1C2AKR1C1DHODHALDH1A1EGFR | |
| Biphenyl SCHEMBL2838517 | 0.81 | AKR1C2 (0.50) | AKR1C2AKR1C1DHODHALDH1A1KMO | |
| SCHEMBL28888036 | 0.80 | AKR1C2 (0.45) | AKR1C2AKR1C1ALDH1A1KMOKDM4E | |
| SCHEMBL10029672 | 0.79 | AKR1C2 (0.56) | AKR1C2AKR1C1DHODHALDH1A1EGFR | |
| SCHEMBL28138125 | 0.79 | CES2 (0.54) | ALDH1A1ALOX15LMNA | |
| SCHEMBL17177745 | 0.78 | AKR1C2 (0.44) | AKR1C2AKR1C1ALDH1A1KMOKDM4E | |
| Biphenyl SCHEMBL2831439 | 0.77 | CES2 (0.56) | AKR1C2AKR1C1KMOLMNA | |
| SCHEMBL26352578 | 0.76 | AKR1C2 (0.53) | AKR1C2AKR1C1DHODHEGFRKDM4E | |
| SCHEMBL1510357 | 0.74 | AKR1C2 (0.43) | AKR1C2AKR1C1DHODHALDH1A1KMO |
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 |
|---|---|---|---|---|---|---|---|
| CN-107257803-B | Polymyxin antibacterial agents for the treatment of bacterial infections | 上海盟科药业股份有限公司 | 2021-02-05 | — | — | CN | disclosed |