Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | TDP2 | O95551 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 3/20 | 0.46 |
| ▸ | S100A4 | P26447 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30095520 | 1.00 | CYP3A4 (0.54) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL2144836 | 0.81 | TDP1 (0.57) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL11523350 | 0.77 | TDP1 (0.53) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL22855674 | 0.76 | CYP3A4 (0.51) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL1950552 | 0.76 | TDP2 (0.58) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL17434341 | 0.75 | CYP3A4 (0.54) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL445340 | 0.74 | CYP3A4 (0.53) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL22855479 | 0.74 | CYP3A4 (0.49) | CYP3A4TDP1CAPN9CASP3TDP2 | |
| SCHEMBL16006554 | 0.73 | PBRM1 (0.42) | CYP3A4TDP2PTPRCEGFRCA9 | |
| SCHEMBL22898415 | 0.73 | CA9 (0.39) | CYP3A4TDP1TDP2MEN1KMT2A |
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-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |