Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 3/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4039414 | 0.99 | CYP1A2 (0.34) | CYP1A2CYP2D6HTR2CADRA2ADRD3 | |
| SCHEMBL4037508 | 0.94 | HTR2C (0.35) | CYP1A2CYP2D6HTR2CADRA2ADRD3 | |
| Hydrochloric Acid SCHEMBL4040618 | 0.93 | HTR2C (0.35) | CYP1A2CYP2D6HTR2CADRA2ADRD3 | |
| SCHEMBL4035884 | 0.90 | CACNA1H (0.36) | CYP1A2CYP2D6ADRA2ADRD3CACNA1H | |
| Hydrochloric Acid SCHEMBL4038349 | 0.89 | CACNA1H (0.35) | CYP1A2CYP2D6ADRA2ADRD3CACNA1H | |
| SCHEMBL4043579 | 0.88 | HDAC3 (0.41) | CACNA1HCACNA1BBCHEMAOAACHE | |
| SCHEMBL4037140 | 0.88 | MAPK1 (0.36) | CYP1A2CYP2D6HTR2CADRA2ADRD3 | |
| SCHEMBL5425097 | 0.86 | CACNA1H (0.35) | CYP1A2CYP2D6CACNA1HCACNA1BBCHE | |
| Hydrochloric Acid SCHEMBL6334027 | 0.85 | — | — | |
| SCHEMBL5411979 | 0.84 | MAOB (0.32) | CYP1A2CYP2D6CACNA1HCACNA1BSLC6A4 |
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-1284977-B1 | THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS | GLAXOSMITHKLINE ZAGREB (HR) | 2009-06-24 | — | — | EP | claimed |