Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28762184 | 0.78 | ROCK1 (0.48) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL7034434 | 0.77 | ALDH1A1 (0.41) | GAAALDH1A1LMNAMAPTHSP90AA1 | |
| SCHEMBL14827764 | 0.76 | GAA (0.47) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL7832893 | 0.76 | ROCK1 (0.46) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL1990819 | 0.76 | ROCK1 (0.46) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL23579413 | 0.76 | ROCK1 (0.46) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL29974269 | 0.76 | ROCK1 (0.46) | GAAROCK1ALDH1A1DRD2NPC1 | |
| SCHEMBL7804911 | 0.76 | GPR119 (0.47) | ALDH1A1DRD2NPC1LMNAMAPT | |
| SCHEMBL22729277 | 0.75 | NOTUM (0.43) | GAAALDH1A1DRD2NPC1LMNA | |
| SCHEMBL28536782 | 0.75 | ROCK1 (0.45) | GAAROCK1ALDH1A1DRD2NPC1 |
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-2915804-B1 | NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS | FUJIFILM TOYAMA CHEMICAL CO LTD (JP) | 2019-03-27 | — | — | EP | disclosed |