Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | ITGA2 | P17301 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758181 | 0.89 | CYP2C9 (0.55) | HTR2CCYP2C9SIGMAR1SLC18A3PARP1 | |
| Hydrochloric Acid SCHEMBL3630728 | 0.88 | CYP2C9 (0.54) | HTR2CCYP2C9SIGMAR1SLC18A3PARP1 | |
| Trifluoroacetic Acid SCHEMBL6698285 | 0.85 | HTR2C (0.54) | HTR2CITGB3ITGA2BITGA2SIGMAR1 | |
| SCHEMBL28051628 | 0.84 | CYP2C9 (0.51) | HTR2CCYP2C9SIGMAR1SLC18A3P2RY14 | |
| Hydrochloric Acid SCHEMBL28051650 | 0.83 | PARP1 (0.50) | HTR2CCYP2C9SIGMAR1SLC18A3P2RY14 | |
| Trifluoroacetic Acid SCHEMBL8528751 | 0.83 | SLC18A3 (0.69) | HTR2CSIGMAR1SLC18A3 | |
| Trifluoroacetic Acid SCHEMBL2303613 | 0.82 | HTR2C (0.78) | HTR2CSIGMAR1SLC18A3P2RY14HTR1A | |
| Trifluoroacetic Acid SCHEMBL31700691 | 0.82 | HTR2C (0.48) | HTR2CCYP2C9ITGB3ITGA2BITGA2 | |
| SCHEMBL12505084 | 0.80 | HTR3A (0.56) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL6156463 | 0.79 | PARP10 (0.60) | OPRK1PARP2PARP10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040116490-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-06-17 | — | — | US | claimed |
| US-20040116490-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-06-17 | — | — | US | disclosed |
| EP-1135378-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS | GLAXO GROUP LIMITED (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000032582-A1 | BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS | GLAXO GROUP LIMITED (GB) | 2000-06-08 | — | — | WO | disclosed |