Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.65 |
| ▸ | DRD2 | P14416 | 3/20 | 0.65 |
| ▸ | HTR2A | P28223 | 3/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.65 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 1/20 | 0.65 |
| ▸ | DRD4 | P21917 | 1/20 | 0.65 |
| ▸ | DRD5 | P21918 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.65 |
| ▸ | HTR1D | P28221 | 1/20 | 0.65 |
| ▸ | HTR1B | P28222 | 1/20 | 0.65 |
| ▸ | HTR2C | P28335 | 1/20 | 0.65 |
| ▸ | HTR1E | P28566 | 1/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.65 |
| ▸ | GPR183 | P32249 | 1/20 | 0.65 |
| ▸ | HTR7 | P34969 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL4302769 | 1.00 | HTR1A (0.65) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL19888525 | 0.90 | DRD2 (0.67) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL25003053 | 0.88 | DRD2 (0.65) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL1037444 | 0.86 | DRD2 (0.64) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL1037849 | 0.82 | DRD2 (0.75) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL29433204 | 0.82 | DRD2 (0.75) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL1035867 | 0.81 | DRD2 (0.74) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL1039830 | 0.81 | DRD2 (0.75) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL21783311 | 0.81 | HTR1A (0.60) | HTR1ADRD2HTR2AADRB2ADRB1 | |
| SCHEMBL14772780 | 0.80 | DRD2 (0.63) | HTR1ADRD2HTR2AADRB2ADRB1 |
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-2694043-B1 | COMBINATIONS COMPRISING BREXPIPRAZOLE OR A SALT THEREOF AND A SECOND DRUG FOR USE IN THE TREATMENT OF A CNS DISORDER | OTSUKA PHARMA CO LTD (JP) | 2017-11-01 | — | — | EP | disclosed |
| WO-2009128537-A1 | HETEROCYCLIC COMPOUND | 大塚製薬株式会社 (JP) | 2009-10-22 | — | — | WO | disclosed |