Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 4-Phenyl-Butylamine SCHEMBL9372616 | 0.94 | MAOA (0.76) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| SCHEMBL52482 | 0.87 | MAOA (0.85) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1551608 | 0.84 | MAOA (0.81) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Water SCHEMBL28661260 | 0.84 | MAOA (0.81) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL7296242 | 0.84 | MAOA (0.81) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Iodide SCHEMBL6672340 | 0.84 | MAOA (0.81) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Bromide SCHEMBL5311946 | 0.84 | MAOA (0.81) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| SCHEMBL8352256 | 0.81 | MAOA (0.68) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| Propane SCHEMBL8092945 | 0.80 | MAOA (0.74) | MAOAHTR2ASIGMAR1CYP2A6SMN1; SMN2 | |
| 4-Phenyl-Butylamine SCHEMBL132472 | 0.80 | MAOA (1.00) | MAOAHTR2ASIGMAR1CYP2A6SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |