Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8470 | 0.94 | DRD2 (0.47) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL4672786 | 0.79 | HRH4 (0.58) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL31098228 | 0.79 | DRD2 (0.58) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL1568889 | 0.78 | DRD2 (0.56) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL11505754 | 0.77 | TRPA1 (0.41) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL8251675 | 0.77 | HRH4 (0.46) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL21761445 | 0.77 | ALDH1A1 (0.46) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL5057241 | 0.77 | HRH4 (0.43) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL11559842 | 0.75 | ALDH1A1 (0.43) | DRD2BACE1LMNACHRM2HTR1A | |
| SCHEMBL20036412 | 0.73 | DRD2 (0.36) | DRD2BACE1LMNACHRM2HTR1A |
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-1602650-B1 | Method for the preparation of quetiapine by reductive N-alkylation of 11-Piperazinodibenzo(B,F) (1,4)Thioazepin with an aldehyde | CELON PHARMA SP Z O O (PL) | 2007-10-24 | — | — | EP | disclosed |
| EP-1602650-A1 | Method for the preparation of quetiapine by reductive N-alkylation of 11-Piperazinodibenzo(B,F) (1,4)Thioazepin with an aldehyde | Celon Pharma Sp. z o.o. (PL) | 2005-12-07 | — | — | EP | disclosed |