Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 12/20 | 0.73 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.68 |
| ▸ | LCK | P06239 | 1/20 | 0.68 |
| ▸ | FYN | P06241 | 1/20 | 0.68 |
| ▸ | GRB2 | P62993 | 1/20 | 0.68 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | GLA | P06280 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL205186 | 1.00 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL30185458 | 1.00 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL15245387 | 0.87 | MCL1 (0.66) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL3762732 | 0.85 | HSD17B3 (1.00) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL4176874 | 0.85 | HSD17B3 (0.76) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL1252272 | 0.83 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL3868315 | 0.83 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL27989780 | 0.83 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL7738289 | 0.83 | HSD17B3 (0.77) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL27757150 | 0.83 | HSD17B3 (0.73) | HSD17B3AKR1B1LCKFYNGRB2 |
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-107089963-B | With inhibition active cumarin esterification derivative of RXR alpha transcriptional and its preparation method and application | 厦门大学 | 2019-05-21 | — | — | CN | disclosed |