Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | CASR | P41180 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091786 | 0.82 | SIGMAR1 (0.60) | SIGMAR1KCNH2 | |
| SCHEMBL8084189 | 0.81 | SIGMAR1 (0.56) | SIGMAR1KCNH2 | |
| SCHEMBL8092954 | 0.80 | SIGMAR1 (0.64) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL22579185 | 0.79 | BCHE (0.59) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL8092963 | 0.78 | SIGMAR1 (0.59) | SIGMAR1KCNH2 | |
| SCHEMBL8259153 | 0.78 | HTR2C (0.72) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL10890639 | 0.77 | PNMT (0.48) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL8091321 | 0.75 | SIGMAR1 (0.55) | SIGMAR1CYP2D6CYP3A4CYP2C19SLC6A2 | |
| SCHEMBL9989291 | 0.75 | TAAR1 (0.61) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL12648288 | 0.74 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | claimed |