Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1753940 | 0.90 | KCNH2 (0.50) | KCNH2NOS1BACE1TAAR1MAOA | |
| SCHEMBL6967970 | 0.85 | ALDH1A1 (0.39) | TAAR1MAOBSMN1; SMN2TLR8 | |
| SCHEMBL10743482 | 0.80 | HTR2A (0.42) | KCNH2NOS1MAOAMAOBHTR2A | |
| SCHEMBL7620595 | 0.79 | GPR52 (0.40) | KCNH2TAAR1 | |
| SCHEMBL4394413 | 0.79 | GPR52 (0.40) | KCNH2TAAR1 | |
| SCHEMBL4384692 | 0.79 | GPR52 (0.40) | KCNH2TAAR1 | |
| SCHEMBL4390050 | 0.78 | HRH3 (0.45) | MAOAMAOBDHFR | |
| SCHEMBL3151668 | 0.76 | GFER (0.52) | MAOAMAOBSMN1; SMN2LOXL2CYP3A4 | |
| SCHEMBL6180571 | 0.75 | SIGMAR1 (0.50) | KCNH2 | |
| SCHEMBL5827293 | 0.74 | MAOB (0.53) | NOS1BACE1MAOAMAOBSMN1; SMN2 |
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-0729459-B1 | PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2003-03-12 | — | — | EP | disclosed |
| US-5578616-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS | SCHERING CORPORATION (US) | 1996-11-26 | — | — | US | disclosed |