Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19358664 | 0.86 | DRD2 (0.50) | PTGS2GAATUBB1HTR2AHTR2C | |
| SCHEMBL16608096 | 0.79 | MAPT (0.50) | PTGS2GAAHTR2AHTR2CALDH1A1 | |
| SCHEMBL689969 | 0.76 | GAA (0.38) | GAAHTR2AHTR2CALDH1A1HTR2B | |
| SCHEMBL16608098 | 0.74 | ALDH1A1 (0.38) | GAATUBB1ALDH1A1CYP19A1 | |
| SCHEMBL30374 | 0.73 | PTGS2 (1.00) | PTGS2TUBB1HTR2AHTR2CHTR2B | |
| SCHEMBL21547605 | 0.73 | PTGS2 (0.60) | PTGS2GAATUBB1HTR2AHTR2C | |
| SCHEMBL8377139 | 0.73 | PTGS2 (0.60) | PTGS2TUBB1HTR2AHTR2CHTR1A | |
| SCHEMBL2776269 | 0.72 | CYP3A4 (0.39) | PTGS2GAAALDH1A1NOS3NOS1 | |
| SCHEMBL2140622 | 0.72 | NOS3 (0.38) | PTGS2GAANOS3NOS1NOS2 | |
| SCHEMBL4621087 | 0.72 | ACHE (0.52) | GAATUBB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2950773-B1 | DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE | OREAL (FR) | 2019-03-13 | — | — | EP | disclosed |