Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.50 |
| ▸ | CCND1 | P24385 | 4/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431502 | 1.00 | CDK4 (0.50) | CDK4CCND1TRPA1ATMCCNB2 | |
| SCHEMBL28363220 | 0.86 | ALDH1A1 (0.44) | CDK4CCND1TRPA1CCNB2CDK1 | |
| SCHEMBL28363218 | 0.86 | ALDH1A1 (0.44) | CDK4CCND1TRPA1CCNB2CDK1 | |
| SCHEMBL9159172 | 0.86 | CDK4 (0.59) | CDK4CCND1TRPA1CCNB2CDK1 | |
| SCHEMBL23335666 | 0.81 | TRPA1 (0.43) | TRPA1ATMALDH1A1KDM4EMAPT | |
| SCHEMBL412923 | 0.79 | TRPA1 (0.50) | TRPA1ATMALDH1A1MAPTCYP19A1 | |
| SCHEMBL29485033 | 0.79 | TRPA1 (0.50) | TRPA1ATMALDH1A1MAPTCYP19A1 | |
| SCHEMBL28257757 | 0.79 | TRPA1 (0.50) | TRPA1ATMALDH1A1MAPTCYP19A1 | |
| SCHEMBL10767153 | 0.78 | TRPA1 (0.48) | TRPA1ATMALDH1A1KDM4EMAPT | |
| SCHEMBL10765760 | 0.78 | TRPA1 (0.48) | TRPA1ATMALDH1A1KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111440190-B | Preparation method of bacterial inhibitor coumarin [3,4] benzothiophene compound | 诸暨市人民医院 | 2021-08-24 | — | — | CN | disclosed |
| CN-111440190-A | Preparation method of bacterial inhibitor coumarin [3,4] benzothiophene compound | 诸暨市人民医院 | 2020-07-24 | — | — | CN | disclosed |