Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.79 |
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | 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 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 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 | |
|---|---|---|---|---|
| 4-Phenyl-Butylamine SCHEMBL8343768 | 0.96 | MAOA (0.79) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| 4-Phenyl-Butylamine SCHEMBL9373863 | 0.96 | MAOA (0.79) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Hexadecylamine SCHEMBL5181808 | 0.92 | MAOA (0.67) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| SCHEMBL8091280 | 0.92 | MAOA (0.72) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Butylbenzyl SCHEMBL8976812 | 0.91 | MAOA (0.64) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Butylamine SCHEMBL23671987 | 0.90 | MAOA (0.69) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Butylamine SCHEMBL27594153 | 0.90 | MAOA (0.69) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Propylamine SCHEMBL8976772 | 0.89 | MAOA (0.68) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| Butylbenzyl SCHEMBL9150910 | 0.89 | HTR2A (0.72) | MAOAHTR2ACYP2A6SMN1; SMN2TAAR1 | |
| SCHEMBL8971649 | 0.89 | HTR2A (0.72) | MAOAHTR2ASMN1; 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 |