Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4889435 | 0.83 | SIGMAR1 (0.53) | HTR1ASLC6A2SLC6A4SLC6A3TACR1 | |
| Hydrochloric Acid SCHEMBL15845357 | 0.82 | SIGMAR1 (0.52) | HTR1ASLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL8850087 | 0.77 | NPC1 (0.54) | GBA1CYP2C19 | |
| SCHEMBL3963846 | 0.76 | SMN1; SMN2 (0.67) | CYP2C19 | |
| SCHEMBL3352682 | 0.76 | SIGMAR1 (0.68) | GNAI3SIGMAR1CYP2C19 | |
| Hydrochloric Acid SCHEMBL7917684 | 0.75 | SMN1; SMN2 (0.65) | CYP2C19 | |
| Hydrochloric Acid SCHEMBL20607541 | 0.74 | SIGMAR1 (0.66) | GNAI3SIGMAR1CYP2C19 | |
| SCHEMBL2982806 | 0.74 | TSHR (0.46) | SLC6A3SIGMAR1 | |
| SCHEMBL15094370 | 0.74 | TSHR (0.46) | SLC6A3SIGMAR1 | |
| SCHEMBL13100986 | 0.73 | SIGMAR1 (0.53) | HTR1ASLC6A2SLC6A4SLC6A3TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019383-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 2000-07-19 | — | — | EP | claimed |
| WO-1997024336-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 1997-07-10 | — | — | WO | claimed |
| US-6225465-B1 | REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS | SMITHKLINE BEECHAM PLC (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-1019383-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 2000-07-19 | — | — | EP | disclosed |
| WO-1997024336-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 1997-07-10 | — | — | WO | disclosed |