Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21156315 | 0.76 | ALDH1A1 (0.35) | HPGDMAPTALDH1A1POLBGPR55 | |
| SCHEMBL22048701 | 0.75 | KMT2A (0.47) | HPGDMAPTALDH1A1POLBGPR55 | |
| SCHEMBL19980139 | 0.75 | CSNK2A1 (0.40) | HPGDMAPTALDH1A1POLBGPR55 | |
| SCHEMBL19980436 | 0.75 | HTR2C (0.41) | HPGDMAPTALDH1A1POLBGPR55 | |
| SCHEMBL19655565 | 0.74 | ALDH1A1 (0.42) | HPGDMAPTALDH1A1CYP2C9KMT2A | |
| SCHEMBL20344564 | 0.73 | CYP19A1 (0.35) | HPGDMAPTALDH1A1POLBGPR55 | |
| SCHEMBL19980376 | 0.72 | CYP19A1 (0.43) | MAPTALDH1A1POLBGPR55KDM4E | |
| SCHEMBL20344535 | 0.70 | CYP1A2 (0.44) | HPGDMAPTALDH1A1POLBKDM4E | |
| SCHEMBL20344681 | 0.70 | CYP1A2 (0.45) | HPGDMAPTALDH1A1CYP2C9KDM4E | |
| SCHEMBL23081625 | 0.68 | ERN1 (0.46) | POLBKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3816163-A1 | CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2021-05-05 | — | — | EP | disclosed |