Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL4616301 | 0.86 | HTR6 (0.45) | HTR6 | |
| SCHEMBL4613855 | 0.83 | HTR6 (0.64) | HTR6DRD2DRD4DRD3HTR7 | |
| Hydrochloric Acid SCHEMBL4614225 | 0.82 | HTR6 (0.63) | HTR6DRD2DRD4DRD3HTR7 | |
| SCHEMBL1136445 | 0.72 | HTR6 (0.50) | HTR6DRD2HTR7ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL4616525 | 0.71 | HTR6 (0.49) | HTR6DRD2HTR7ALDH1A1KMT2A | |
| SCHEMBL5705254 | 0.71 | DRD2 (0.42) | DRD2DRD4DRD3ALDH1A1RBP4 | |
| SCHEMBL11087705 | 0.68 | KDM4E (0.49) | ALDH1A1GAARBP4KMT2AMAPT | |
| SCHEMBL2857040 | 0.68 | AKR1C3 (0.64) | DRD2DRD4DRD3HTR7ALDH1A1 | |
| SCHEMBL7131427 | 0.68 | ELANE (0.53) | HTR6ALDH1A1KMT2AMAPTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL4632915 | 0.68 | HTR1A (0.46) | HTR6DRD2DRD4DRD3ALDH1A1 |
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-1708713-B1 | 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM | HOFFMANN LA ROCHE (CH) | 2008-03-12 | — | — | EP | disclosed |