Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.40 |
| ▸ | NOS1 | P29475 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17859568 | 0.95 | NOS3 (0.41) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17859567 | 0.90 | NOS3 (0.37) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17859569 | 0.90 | NOS3 (0.38) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17859576 | 0.89 | HTR1A (0.44) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17859575 | 0.88 | NOS3 (0.39) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17525496 | 0.88 | NOS3 (0.43) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17525497 | 0.87 | NOS3 (0.42) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17859573 | 0.87 | NOS3 (0.42) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL17525495 | 0.85 | NOS1 (0.41) | NOS3NOS1HTR1ASLC6A4NOS2 | |
| SCHEMBL20179602 | 0.85 | NOS3 (0.39) | NOS3NOS1HTR1ASLC6A4NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016097023-A1 | CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING | L'OREAL (FR) | 2016-06-23 | — | — | WO | disclosed |