Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26818509 | 0.80 | CYP17A1 (0.42) | ALDH1A1HPGDCYP17A1GAAALOX12 | |
| SCHEMBL24037298 | 0.72 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTLMNAGAA | |
| SCHEMBL26951480 | 0.69 | CYP17A1 (0.40) | ALDH1A1HPGDMAPTCYP17A1ABL1 | |
| SCHEMBL18104279 | 0.69 | CYP17A1 (0.49) | ALDH1A1HPGDMAPTLMNACYP17A1 | |
| SCHEMBL17540831 | 0.67 | MAPT (0.44) | ALDH1A1HPGDMAPTLMNAGAA | |
| SCHEMBL15340864 | 0.66 | PTPRC (0.41) | ALDH1A1HPGDMAPTLMNAGAA | |
| SCHEMBL10205905 | 0.65 | CYP17A1 (0.54) | ALDH1A1HPGDMAPTCYP17A1KDM4E | |
| SCHEMBL16805043 | 0.65 | KDM4E (0.67) | ALDH1A1LMNACYP17A1GAAKDM4E | |
| SCHEMBL22290188 | 0.64 | CYP17A1 (0.58) | ALDH1A1HPGDMAPTLMNACYP17A1 | |
| SCHEMBL11890585 | 0.63 | — | — |
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-2023227734-A1 | FLAVIVIRUS INHIBITORS | IRBM S.P.A. (IT) | 2023-11-30 | — | — | WO | disclosed |