Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2086092 | 1.00 | CYP1A2 (0.46) | CYP1A2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL21416086 | 0.89 | CYP1A2 (0.44) | CYP1A2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL25770810 | 0.89 | CYP1A2 (0.38) | CYP1A2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL3000291 | 0.89 | KDM4E (0.42) | CYP1A2CYP3A4CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL5947997 | 0.89 | CYP1A2 (0.57) | CYP1A2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL6123650 | 0.89 | CYP1A2 (0.57) | CYP1A2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL9971854 | 0.84 | CYP1A2 (0.67) | CYP1A2CA1CA2KDM4EL3MBTL1 | |
| SCHEMBL12560663 | 0.84 | MAPK1 (0.48) | CYP1A2CYP3A4CYP2C19CYP2C9KDM4E | |
| SCHEMBL15763552 | 0.83 | ESR1 (0.46) | CA1CA2KDM4EMAPK1ESR1 | |
| SCHEMBL15763541 | 0.83 | ESR1 (0.46) | CA1CA2PTGS2KDM4EMAPT |
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-113773339-B | Organic compound and application thereof | 武汉天马微电子有限公司 | 2024-01-05 | — | — | CN | disclosed |