Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724664 | 0.96 | HRH4 (0.57) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3728038 | 0.85 | HRH4 (0.50) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3797918 | 0.84 | HRH4 (0.44) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3726434 | 0.84 | HRH4 (0.45) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3718066 | 0.83 | HRH4 (0.43) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3724014 | 0.82 | HRH4 (0.43) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3720932 | 0.82 | IDH2 (0.44) | HRH4KDM4EKMT2ADRD2HTR6 | |
| SCHEMBL3721072 | 0.82 | CYP11B2 (0.46) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3721777 | 0.82 | HRH3 (0.42) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3725420 | 0.81 | HSD17B10 (0.50) | HRH4CYP1A2CYP2D6CYP2C19SMN1; SMN2 |
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-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |