Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4038349 | 0.99 | CACNA1H (0.35) | CACNA1HCACNA1BCYP1A2CYP2D6MAOB | |
| SCHEMBL4042515 | 0.93 | ALDH1A1 (0.37) | CYP1A2CYP2D6MAOBBCHEMAOA | |
| SCHEMBL4043584 | 0.92 | PDK2 (0.41) | CACNA1HCACNA1BMAOBBCHEMAOA | |
| Hydrochloric Acid SCHEMBL4039575 | 0.91 | KDM4E (0.36) | CYP1A2CYP2D6MAOBBCHEMAOA | |
| SCHEMBL5425097 | 0.91 | CACNA1H (0.35) | CACNA1HCACNA1BCYP1A2CYP2D6MAOB | |
| SCHEMBL6341927 | 0.91 | MAOB (0.43) | CACNA1HCACNA1BMAOBPDK2 | |
| SCHEMBL4046594 | 0.90 | CYP1A2 (0.35) | CACNA1HCACNA1BCYP1A2CYP2D6MAOB | |
| SCHEMBL4037140 | 0.90 | MAPK1 (0.36) | CYP1A2CYP2D6MAOAACHEKDM4E | |
| SCHEMBL4043579 | 0.90 | HDAC3 (0.41) | CACNA1HCACNA1BMAOBBCHEMAOA | |
| Hydrochloric Acid SCHEMBL4039414 | 0.89 | CYP1A2 (0.34) | CACNA1HCACNA1BCYP1A2CYP2D6MAOB |
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 |