Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD5 | P21918 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL798084 | 0.98 | HTR3A (0.35) | HTR3AESR1ESR2HTR6SOS1 | |
| SCHEMBL798140 | 0.88 | HTR3A (0.37) | HTR3AHTR6SOS1ALDH1A1CYP1A2 | |
| SCHEMBL656370 | 0.88 | HRH4 (0.43) | HTR3AESR1ESR2HTR6HRH4 | |
| SCHEMBL655227 | 0.85 | HRH4 (0.43) | HTR3AESR1ESR2HTR6HRH4 | |
| SCHEMBL654836 | 0.81 | HRH4 (0.45) | HTR3AHTR6HRH4HRH3KCNH2 | |
| SCHEMBL655975 | 0.78 | ADORA2A (0.49) | HTR3AHTR6DRD2ALDH1A1CYP1A2 | |
| SCHEMBL656382 | 0.75 | HRH4 (0.46) | HTR3AHTR6HRH4HRH3KCNH2 | |
| SCHEMBL1720675 | 0.73 | ADORA2A (0.44) | HTR6DRD2HRH4HRH3ADORA2A | |
| SCHEMBL1720807 | 0.71 | HRH4 (0.46) | HTR6CYP3A4HRH4HRH3KCNH2 | |
| SCHEMBL656256 | 0.70 | HRH4 (0.44) | HTR3ACYP3A4HRH4HRH3KCNH2 |
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 |