Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627300 | 0.89 | HRH3 (0.46) | HRH3OPRM1DRD4TMEM97SIGMAR1 | |
| SCHEMBL740258 | 0.81 | ACHE (0.46) | SIGMAR1BACE1ACHE | |
| SCHEMBL30938004 | 0.81 | HRH3 (0.43) | HRH3THRBBACE1 | |
| SCHEMBL16616800 | 0.77 | CYP2D6 (0.41) | HRH3CCR2FAAH | |
| SCHEMBL31612508 | 0.75 | HRH3 (0.63) | HRH3OPRM1THRBDRD4TMEM97 | |
| SCHEMBL29445062 | 0.75 | SLC18A3 (0.48) | HRH3THRBDRD4TMEM97SIGMAR1 | |
| SCHEMBL17782207 | 0.74 | SIGMAR1 (0.41) | TMEM97SIGMAR1BACE1 | |
| SCHEMBL16409316 | 0.74 | SIGMAR1 (0.41) | TMEM97SIGMAR1BACE1 | |
| SCHEMBL4227981 | 0.73 | HRH3 (1.00) | HRH3THRBMAOAMAOBCCR2 | |
| SCHEMBL14461324 | 0.73 | BACE1 (0.43) | OPRM1BACE1 |
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-2822656-B1 | 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE | CANCER RES INST ROYAL (GB) | 2016-10-19 | — | — | EP | disclosed |