Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 5/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358297 | 0.77 | CCR1 (0.34) | CCR1CCR5CCR8 | |
| SCHEMBL28361808 | 0.75 | KDM4E (0.43) | CYP2A6METAP2CCR1CCR5CCR8 | |
| SCHEMBL196235 | 0.71 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL29924154 | 0.71 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL31252534 | 0.71 | CYP2A6 (0.61) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL938744 | 0.70 | ALDH1A1 (0.40) | CYP2A6METAP2CCR1CCR8NOS3 | |
| SCHEMBL12002555 | 0.69 | CYP2A6 (0.43) | CYP2A6METAP2NOS3NOS1NOS2 | |
| SCHEMBL6118799 | 0.69 | CCR1 (0.55) | CYP2A6METAP2CCR1CCR5CCR8 | |
| SCHEMBL12320090 | 0.67 | CYP2A6 (0.48) | CYP2A6METAP2CCR1CCR8NOS3 | |
| SCHEMBL28235663 | 0.67 | CYP2A6 (0.58) | CYP2A6METAP2NOS3NOS1NOS2 |
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-110669052-A | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2020-01-10 | — | — | CN | disclosed |