Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.74 |
| ▸ | HTR2A | P28223 | 2/20 | 0.64 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.61 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL52482 | 0.93 | MAOA (0.85) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Benzene SCHEMBL28170833 | 0.93 | MAOA (0.85) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Iodide SCHEMBL6672340 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| SCHEMBL27510111 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Hydrochloric Acid SCHEMBL1551608 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Ammonia Solution, Strong SCHEMBL7296242 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Water SCHEMBL28661260 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Bromide SCHEMBL5311946 | 0.90 | MAOA (0.81) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| SCHEMBL8091280 | 0.89 | MAOA (0.72) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| 4-Phenyl-Butylamine SCHEMBL132472 | 0.85 | MAOA (1.00) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 |
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 |