Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24008962 | 0.88 | MAPT (0.48) | CYP8B1PDK2GAAMAPK7ESR2 | |
| SCHEMBL24008960 | 0.81 | GAA (0.38) | CYP8B1GAAKCNH2GRM4NCF1 | |
| SCHEMBL3070215 | 0.79 | DHFR (0.46) | PTGDR2NCF1 | |
| SCHEMBL17202416 | 0.78 | PDK2 (0.52) | HSP90AB1PDK2ESR1ESR2 | |
| SCHEMBL24008963 | 0.77 | NCF1 (0.45) | GAALMNAKCNH2GRM4NCF1 | |
| SCHEMBL20303278 | 0.73 | PDK2 (0.43) | HSP90AB1PDK2LMNAKCNH2KDM4E | |
| SCHEMBL4069676 | 0.72 | SLC6A9 (0.52) | PDK2KCNH2 | |
| SCHEMBL3741308 | 0.71 | NCF1 (0.47) | GAALMNAKCNH2GRM4NCF1 | |
| SCHEMBL4067477 | 0.70 | PDK2 (0.47) | HSP90AB1PDK2KCNH2 | |
| SCHEMBL3073912 | 0.69 | NCF1 (0.56) | GAALMNAKCNH2NCF1KDM4E |
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-115996912-A | Iminothiolanone inhibitors of ENPP1 | 沃拉斯查疗法公司 | 2023-04-21 | — | — | CN | disclosed |