Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 6/20 | 0.34 |
| ▸ | HTR1D | P28221 | 5/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 5/20 | 0.34 |
| ▸ | HTR2C | P28335 | 5/20 | 0.34 |
| ▸ | HTR2B | P41595 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6603800 | 1.00 | HTR1B (0.34) | HTR1BHTR1DDRD2DRD4HTR2A | |
| SCHEMBL6603795 | 1.00 | HTR1B (0.34) | HTR1BHTR1DDRD2DRD4HTR2A | |
| SCHEMBL6101343 | 0.84 | HTT (0.45) | DRD2DRD4HTR2AHTR2CHTR2B | |
| SCHEMBL6101340 | 0.84 | HTT (0.45) | DRD2DRD4HTR2AHTR2CHTR2B | |
| SCHEMBL6609337 | 0.84 | AR (0.33) | HTR1BHTR1DDRD2DRD4AR | |
| SCHEMBL6609342 | 0.84 | AR (0.33) | HTR1BHTR1DDRD2DRD4AR | |
| SCHEMBL6609051 | 0.83 | KDM4E (0.36) | HTR1BHTR1DDRD2DRD4HTR2A | |
| SCHEMBL6604743 | 0.83 | ALDH1A1 (0.40) | HTR1BDRD2DRD4ARWDR5 | |
| SCHEMBL6609050 | 0.83 | KDM4E (0.36) | HTR1BHTR1DDRD2DRD4HTR2A | |
| SCHEMBL6604751 | 0.83 | ALDH1A1 (0.40) | HTR1BDRD2DRD4ARWDR5 |
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-1216239-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023374-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-05 | — | — | WO | disclosed |