Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 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 | |
|---|---|---|---|---|
| SCHEMBL11289526 | 0.79 | TRPA1 (0.42) | TRPA1SLC6A2SLC6A4NOS3NOS1 | |
| SCHEMBL24016422 | 0.78 | KMT2A (0.34) | SLC6A4ALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL26665309 | 0.78 | TRPA1 (0.41) | TRPA1SLC6A2SLC6A4NOS3NOS1 | |
| SCHEMBL24016411 | 0.76 | ALDH1A1 (0.43) | SMN1; SMN2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL20195153 | 0.73 | GAA (0.39) | TRPA1SLC6A2SLC6A4NOS3NOS1 | |
| SCHEMBL24016123 | 0.72 | ALDH1A1 (0.33) | SLC6A2SLC6A4KDM4EALDH1A1GAA | |
| SCHEMBL21337872 | 0.72 | ALDH1A1 (0.33) | TRPA1SLC6A2SLC6A4SMN1; SMN2KDM4E | |
| SCHEMBL1685286 | 0.70 | ALDH1A1 (0.52) | SMN1; SMN2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL8830144 | 0.70 | ALDH1A1 (0.42) | TRPA1NOS3NOS1NOS2KDM4E | |
| SCHEMBL9559795 | 0.69 | HSP90AB1 (0.46) | TRPA1NOS3NOS1NOS2KDM4E |
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-3536324-A1 | 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 | Takeda Pharmaceutical Company Limited (JP) | 2019-09-11 | — | — | EP | disclosed |