Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.33 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL455616 | 0.79 | NOTUM (0.33) | — | |
| SCHEMBL2513533 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL11263031 | 0.77 | SMN1; SMN2 (0.35) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL28370543 | 0.77 | ALDH1A1 (0.32) | CYP1A2ALDH1A1SMN1; SMN2CA2POLB | |
| SCHEMBL699252 | 0.76 | — | — | |
| SCHEMBL931545 | 0.73 | ALOX15 (0.52) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL11621524 | 0.71 | ALDH1A1 (0.41) | CYP1A2ALDH1A1SMN1; SMN2CA2POLB | |
| SCHEMBL162868 | 0.71 | — | — | |
| SCHEMBL21500716 | 0.70 | CYP2C9 (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| Water SCHEMBL28480832 | 0.68 | CYP2C9 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 |
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-117903181-A | Polycyclic aromatic compound, polymer thereof, material for organic device, use of the same, organic electroluminescent element, and use of the same | 国立大学法人京都大学 | 2024-04-19 | — | — | CN | disclosed |