Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9416391 | 0.93 | KCNH2 (0.48) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL7754352 | 0.91 | KCNH2 (0.60) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL7754377 | 0.87 | CYP2D6 (0.48) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL7754343 | 0.87 | CYP3A4 (0.53) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL8611838 | 0.87 | CACNA1G (0.48) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| Hydrochloric Acid SCHEMBL7542285 | 0.86 | MEN1 (0.54) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL8617368 | 0.85 | KCNH2 (0.52) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL7754348 | 0.84 | SLC6A3 (0.52) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL8610976 | 0.84 | KCNH2 (0.52) | KCNH2CYP3A4CYP2D6FAAHTSHR | |
| SCHEMBL9416450 | 0.84 | CYP2D6 (0.46) | KCNH2CYP3A4CYP2D6FAAHTSHR |
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-0549796-B1 | DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME | POLA CHEM IND INC (JP) | 1998-04-29 | — | — | EP | disclosed |
| US-5391552-A | Has strong antagonism against calcium with less side effects | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1995-02-21 | — | — | US | disclosed |