Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830029 | 1.00 | DRD3 (0.43) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL4781372 | 1.00 | DRD3 (0.43) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL1833082 | 0.82 | HTR4 (0.44) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL1830896 | 0.82 | HTR4 (0.44) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL1831926 | 0.82 | HTR4 (0.44) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL6021882 | 0.80 | HTR4 (0.43) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL4106088 | 0.80 | HTR4 (0.43) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL5193602 | 0.80 | HTR4 (0.43) | DRD3HTR4KDM1ASIGMAR1PIK3CD | |
| SCHEMBL23823660 | 0.76 | CYP1A2 (0.64) | DRD3KDM1ASIGMAR1PIK3CDALDH1A1 | |
| SCHEMBL7799252 | 0.76 | SMN1; SMN2 (0.40) | SIGMAR1ALDH1A1GLAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984362-A1 | PROCESS FOR PREPARING INTERMEDIATES TO 5-HT4 RECEPTOR AGONIST COMPOUNDS | Theravance, Inc. (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007097976-A1 | PROCESS FOR PREPARING INTERMEDIATES TO 5-HT4 RECEPTOR AGONIST COMPOUNDS | THERAVANCE, INC. (US) | 2007-08-30 | — | — | WO | disclosed |