Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA7 | P43166 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3327442 | 0.92 | CYP2C19 (0.70) | CYP2C9CYP2C19KDM4ECA12CA1 | |
| SCHEMBL16175866 | 0.92 | KDM4E (0.68) | CYP2C9CYP2C19KDM4EALDH1A1CA12 | |
| SCHEMBL7234951 | 0.92 | CYP2C19 (0.70) | CYP2C9CYP2C19KDM4ECA12CA1 | |
| SCHEMBL16850624 | 0.92 | KDM4E (0.68) | CYP2C9CYP2C19KDM4EALDH1A1CA12 | |
| Ammonia Solution, Strong SCHEMBL28298874 | 0.90 | CYP2C19 (0.68) | CYP2C9CYP2C19KDM4ECA12CA1 | |
| SCHEMBL22660964 | 0.90 | CYP2C19 (0.68) | CYP2C9CYP2C19KDM4ECA12CA1 | |
| SCHEMBL264861 | 0.87 | CYP2C19 (0.64) | CYP2C9CYP2C19KDM4ECA12CA1 | |
| SCHEMBL9121827 | 0.86 | CA12 (0.60) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL7234945 | 0.86 | CA12 (0.60) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL4328949 | 0.86 | CYP2C19 (0.58) | CYP2C9CYP2C19KDM4EALDH1A1CA12 |
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-115810867-A | Metal-organic framework composite separator, battery comprising same and manufacturing method thereof | 宁德时代新能源科技股份有限公司 | 2023-03-17 | — | — | CN | disclosed |