Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 8/20 | 0.47 |
| ▸ | SLC18A1 | P54219 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | GRB2 | P62993 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24147685 | 0.83 | MCL1 (0.58) | HSD17B3LCKFYNAKR1B1GRB2 | |
| SCHEMBL3868315 | 0.80 | HSD17B3 (0.73) | HSD17B3LCKFYNAKR1B1GRB2 | |
| SCHEMBL28160720 | 0.80 | ALDH1A1 (0.58) | HSD17B3SLC18A1SLC18A2LCKFYN | |
| SCHEMBL4417415 | 0.80 | NPC1 (0.58) | HSD17B3ALDH1A1GAA | |
| SCHEMBL637265 | 0.77 | NQO1 (0.56) | HSD17B3ALDH1A1KDM4EGLA | |
| SCHEMBL67779 | 0.76 | CYP2D6 (0.72) | LCKCYP2D6ALDH1A1KDM4E | |
| SCHEMBL29443248 | 0.76 | CYP2D6 (0.72) | LCKCYP2D6ALDH1A1KDM4E | |
| SCHEMBL25166533 | 0.76 | KMT2A (0.44) | HSD17B3SLC18A1SLC18A2LCKFYN | |
| Phosphine SCHEMBL17375055 | 0.75 | CYP2D6 (0.70) | LCKCYP2D6ALDH1A1KDM4E | |
| SCHEMBL26598031 | 0.74 | ALDH1A1 (0.68) | HSD17B3CYP2D6ALDH1A1GAAKDM4E |
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-109593084-B | Prolyl hydroxylase small-molecule photosensitive prodrug and preparation method and application thereof | 中国药科大学 | 2021-09-28 | — | — | CN | disclosed |