Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CCR8 | P51685 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2589450 | 0.78 | GABRG2 (0.37) | KMT2A | |
| SCHEMBL28358021 | 0.72 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL28358188 | 0.72 | CYP2A6 (0.31) | CCR1CCR5CCR8 | |
| SCHEMBL28852322 | 0.71 | CCR1 (0.52) | CCR1CCR5CCR8 | |
| SCHEMBL28852324 | 0.68 | CCR1 (0.55) | CCR1CCR5CCR8KMT2A | |
| SCHEMBL4909130 | 0.67 | — | — | |
| SCHEMBL28358102 | 0.67 | KMT2A (0.30) | KMT2A | |
| SCHEMBL14635181 | 0.67 | NAMPT (0.33) | — | |
| SCHEMBL24602339 | 0.66 | RPS6KA3 (0.45) | CCR1CCR5CCR8KMT2APTGS2 | |
| SCHEMBL1515426 | 0.66 | NISCH (0.38) | KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110669052-B | Substituted 2-azabicyclic compounds and their use as orexin receptor modulators | 詹森药业有限公司 | 2022-10-11 | — | — | CN | disclosed |
| 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 |