Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 14/20 | 0.82 |
| ▸ | HTR1D | P28221 | 13/20 | 0.82 |
| ▸ | HTR1A | P08908 | 4/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604404 | 1.00 | HTR1B (0.82) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6604606 | 0.92 | HTR1B (0.78) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6604602 | 0.92 | HTR1B (0.78) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6606999 | 0.91 | HTR1B (0.77) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6607001 | 0.91 | HTR1B (0.77) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6605824 | 0.90 | HTR1B (1.00) | HTR1BHTR1DHTR1AHTR2BGHSR | |
| SCHEMBL6605819 | 0.90 | HTR1B (1.00) | HTR1BHTR1DHTR1AHTR2BGHSR | |
| SCHEMBL6606931 | 0.88 | HTR1D (0.72) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6606934 | 0.88 | HTR1D (0.72) | HTR1BHTR1DHTR1ACYP1A2CYP3A4 | |
| SCHEMBL6603805 | 0.81 | HTR1B (1.00) | HTR1BHTR1DHTR1AHTR2BGHSR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1216239-B1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-11 | — | — | EP | claimed |