Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 19/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL1694230 | 0.71 | HRH4 (0.41) | HRH4HRH3KCNH2 | |
| SCHEMBL798545 | 0.71 | HRH4 (0.45) | HRH4HRH3KCNH2 | |
| SCHEMBL655907 | 0.71 | HRH4 (0.57) | HRH4HRH3KCNH2HRH1HTR2B | |
| SCHEMBL654386 | 0.70 | ACHE (0.39) | PDE10A | |
| SCHEMBL17822440 | 0.69 | HRH4 (0.56) | HRH4HRH3KCNH2 | |
| SCHEMBL606433 | 0.68 | HRH4 (0.50) | HRH4HRH3KCNH2HRH1 | |
| SCHEMBL654098 | 0.68 | PI4KB (0.62) | — | |
| SCHEMBL655118 | 0.68 | HRH4 (0.47) | HRH4HRH3KCNH2 | |
| SCHEMBL22401491 | 0.66 | HRH4 (0.57) | HRH4HRH3HTR2C | |
| SCHEMBL28125318 | 0.66 | HRH4 (0.50) | HRH4HRH3KCNH2PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |