Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30685995 | 1.00 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL23120052 | 0.90 | PDK2 (0.53) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL21110859 | 0.89 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL12853987 | 0.89 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL20541087 | 0.87 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL30026143 | 0.87 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL31017586 | 0.83 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL4621666 | 0.83 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL1155472 | 0.81 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 | |
| SCHEMBL28674858 | 0.81 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP3A4CYP1A2PTGS2 |
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-117285555-A | Narrow band blue light material modified by peripheral heavy atoms, preparation method and electronic device | 香港理工大学深圳研究院 | 2023-12-26 | — | — | CN | disclosed |