Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.79 |
| ▸ | HTR2A | P28223 | 8/20 | 0.64 |
| ▸ | HRH1 | P35367 | 6/20 | 0.64 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL23242502 | 0.88 | HTR2C (1.00) | HTR2CHTR2AHRH1HRH4DRD2 | |
| SCHEMBL23242518 | 0.85 | HTR2C (0.81) | HTR2CHTR2AHRH1HRH4MAPK1 | |
| SCHEMBL23298966 | 0.83 | HTR2C (0.65) | HTR2CHTR2AHRH1DRD2DRD1 | |
| SCHEMBL23242538 | 0.81 | HTR2C (0.86) | HTR2CHTR2AHRH1DRD2DRD1 | |
| SCHEMBL23299002 | 0.80 | HTR2A (0.59) | HTR2CHTR2AHRH1HRH4MAPK1 | |
| SCHEMBL23242553 | 0.78 | HTR2A (1.00) | HTR2CHTR2AHRH1HRH4DRD2 | |
| SCHEMBL23242539 | 0.76 | HTR2C (0.78) | HTR2CHTR2AHRH1DRD2DRD1 | |
| SCHEMBL23242517 | 0.76 | HTR2A (0.79) | HTR2CHTR2AHRH1HRH4MAPK1 | |
| SCHEMBL23298956 | 0.73 | HTR2A (0.53) | HTR2CHTR2AHRH1HRH4MAPK1 | |
| SCHEMBL10194094 | 0.69 | HTR2A (0.87) | HTR2CHTR2AHRH1HRH4DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021080997-A1 | 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS | ALAIRION, INC. (US) | 2021-04-29 | — | — | WO | disclosed |