Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3245281 | 0.82 | RECQL (0.48) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL1851394 | 0.80 | BCHE (0.52) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL15665495 | 0.79 | MAOA (0.53) | CA2ALDH1A1LMNACYP3A4CA1 | |
| Sulfuric Acid SCHEMBL1607638 | 0.79 | ALDH1A1 (0.65) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL28198886 | 0.78 | BCHE (0.50) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL15664457 | 0.75 | FDPS (0.38) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL5078164 | 0.74 | CA2 (0.46) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL15302869 | 0.74 | HDAC3 (0.47) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| SCHEMBL248501 | 0.73 | CA2 (0.53) | CA2ALDH1A1KDM4ELMNACYP3A4 | |
| Phenylethyl Alcohol SCHEMBL8145578 | 0.73 | TDP1 (0.76) | CA2ALDH1A1KDM4ELMNACYP3A4 |
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-108383817-B | Synthetic method of thiocoumarin | 青岛科技大学 | 2021-11-09 | — | — | CN | disclosed |