Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | CALCA | P06881 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17460186 | 0.78 | FAAH (0.52) | CYP1A2HTR1ASLC6A4DRD4FAAH | |
| SCHEMBL19281758 | 0.78 | FAAH (0.52) | CYP1A2HTR1ASLC6A4DRD4FAAH | |
| SCHEMBL9963401 | 0.78 | LMNA (0.45) | HRH3CYP1A2DRD4SLC6A9 | |
| SCHEMBL9963404 | 0.78 | LMNA (0.45) | HRH3CYP1A2DRD4SLC6A9 | |
| SCHEMBL9963405 | 0.76 | RAB9A (0.42) | HRH3DRD4SLC6A9OPRK1 | |
| SCHEMBL19967980 | 0.76 | SLC6A9 (0.49) | HRH3SLC6A9 | |
| SCHEMBL17460429 | 0.74 | CYP1A2 (0.43) | CYP1A2HTR1ASLC6A4DRD4PDE10A | |
| SCHEMBL17460275 | 0.74 | CYP1A2 (0.43) | CYP1A2HTR1ASLC6A4DRD4PDE10A | |
| SCHEMBL3990929 | 0.69 | FAAH (0.41) | HRH3CYP1A2DRD4HCRTR1HCRTR2 | |
| SCHEMBL14197738 | 0.69 | DRD4 (0.51) | CYP1A2HTR1ADRD4PDE10AHCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814040-B | The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative | 癌症研究科技有限公司 | 2019-07-30 | — | — | CN | disclosed |