Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27896291 | 0.96 | HRH3 (0.38) | HRH3CA1CA2CA7CA9 | |
| SCHEMBL27913921 | 0.90 | CA1 (0.46) | HRH3CA1CA2CA7CA9 | |
| SCHEMBL27919503 | 0.78 | OPRM1 (0.43) | PPARDPPARAHTR2AHTR2CHTR2B | |
| SCHEMBL28043628 | 0.78 | CA1 (0.45) | HRH3CA1CA2CA7CA9 | |
| SCHEMBL27919507 | 0.76 | HTR2C (0.50) | SLC6A9HRH1HTR2AHTR2CHTR2B | |
| SCHEMBL27913970 | 0.73 | HRH3 (0.39) | HRH3 | |
| SCHEMBL27797441 | 0.73 | HTR2A (0.50) | HTR2AHTR2CHTR2BADRA2AADRA2B | |
| SCHEMBL27919637 | 0.73 | TBXA2R (0.37) | CA1CA2CA7CA9CA14 | |
| SCHEMBL27743677 | 0.73 | DRD2 (0.44) | CA1CA2CA7CA9CA14 | |
| SCHEMBL27977413 | 0.69 | HTR2A (0.47) | HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-101155804-B | Piperazine-substituted benzothiophenes for treatment of mental disorders | OTSUKA PHARMA CO LTD | 2013-03-27 | — | — | CN | disclosed |