Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | CLK3 | P49761 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 2/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29419896 | 0.85 | IKBKB (0.54) | HRH3CHRM4DYRK1ALRRK2 | |
| SCHEMBL19023085 | 0.85 | IKBKB (0.54) | HRH3CHRM4DYRK1ALRRK2 | |
| SCHEMBL19050130 | 0.81 | SLC6A4 (0.50) | CHRM4 | |
| Hydrochloric Acid SCHEMBL31330197 | 0.81 | SLC6A2 (0.44) | HRH3DRD4SIGMAR1TMEM97CHRM4 | |
| SCHEMBL31736816 | 0.80 | CHRM4 (0.45) | HRH3DRD4SIGMAR1TMEM97SMN1; SMN2 | |
| SCHEMBL20298515 | 0.79 | CHRM4 (0.47) | DRD4SIGMAR1TMEM97CHRM4FPR2 | |
| SCHEMBL29594521 | 0.79 | CHRM4 (0.47) | DRD4SIGMAR1TMEM97CHRM4FPR2 | |
| SCHEMBL20303603 | 0.78 | CHRM4 (0.46) | DRD4SIGMAR1CHRM4FPR2PROKR1 | |
| SCHEMBL12192917 | 0.76 | IKBKB (0.60) | HRH3MAOAMAOBSMN1; SMN2TGFBR1 | |
| SCHEMBL15317630 | 0.75 | QDPR (0.50) | DRD4SIGMAR1TMEM97BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9212147-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-15 | — | — | US | disclosed |