Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525502 | 0.90 | NOS3 (0.39) | NOS3NOS1NOS2LTA4HPTGS1 | |
| SCHEMBL17525506 | 0.89 | NOS3 (0.40) | NOS3NOS1NOS2LTA4HPTGS1 | |
| SCHEMBL17525475 | 0.89 | NOS3 (0.46) | NOS3NOS1NOS2SLC6A4HTR1A | |
| SCHEMBL17525473 | 0.89 | NOS3 (0.53) | NOS3NOS1NOS2SLC6A4HTR1A | |
| SCHEMBL17525510 | 0.87 | NOS3 (0.47) | NOS3NOS1NOS2LTA4HPTGS1 | |
| SCHEMBL2074785 | 0.87 | NOS3 (0.54) | NOS3NOS1NOS2LTA4HPTGS1 | |
| SCHEMBL17859578 | 0.86 | HTR1A (0.38) | NOS3NOS1NOS2SLC6A4HTR1A | |
| SCHEMBL17525535 | 0.85 | NOS3 (0.36) | NOS3NOS1NOS2SLC6A4HTR1A | |
| SCHEMBL17525497 | 0.82 | NOS3 (0.42) | NOS3NOS1NOS2SLC6A4HTR1A | |
| SCHEMBL17859571 | 0.82 | HTR1A (0.39) | NOS3NOS1NOS2SLC6A4HTR1A |
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 |