Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | HSD17B1 | P14061 | 8/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.56 |
| ▸ | CCR1 | P32246 | 1/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.55 |
| ▸ | CCR8 | P51685 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23525600 | 1.00 | CYP2A6 (0.57) | CYP2A6HSD17B1HSD17B2CCR1CCR5 | |
| SCHEMBL12408987 | 0.85 | CYP2A6 (0.65) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL2479816 | 0.80 | CYP2A6 (0.59) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL17406767 | 0.79 | CCR1 (0.61) | CYP2A6CCR1CCR5CCR8ACHE | |
| SCHEMBL23259447 | 0.79 | CYP2A6 (0.58) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL9014388 | 0.79 | CCR1 (0.74) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL21386946 | 0.79 | CCR1 (0.74) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL29446990 | 0.79 | CYP2A6 (0.67) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL842170 | 0.79 | CYP2A6 (0.67) | CYP2A6CCR1CCR5CCR8CNR1 | |
| SCHEMBL9014049 | 0.79 | CCR1 (0.74) | CYP2A6CCR1CCR5CCR8CNR1 |
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-117279468-A | Phosphorescent excimer with preferred molecular orientation as monochromatic emitter for display and illumination applications | 李健 | 2023-12-22 | — | — | CN | disclosed |