Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | DRD5 | P21918 | 1/20 | 0.54 |
| ▸ | HRH2 | P25021 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | HTR5A | P47898 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5001351 | 0.98 | NPC1 (0.57) | NPC1TDP1CACNA1FDRD1DRD4 | |
| SCHEMBL8084492 | 0.95 | TRPV1 (0.60) | NPC1TDP1TRPV1NAAA | |
| Hydrochloric Acid SCHEMBL10413762 | 0.92 | NAAA (0.59) | NPC1TDP1TRPV1NAAA | |
| SCHEMBL13900106 | 0.90 | NPC1 (0.68) | NPC1TDP1CACNA1FDRD4DRD5 | |
| SCHEMBL9557074 | 0.85 | TAAR1 (0.68) | NPC1CACNA1FDRD1DRD4DRD5 | |
| SCHEMBL10371234 | 0.84 | NPC1 (0.78) | NPC1TDP1NAAA | |
| SCHEMBL6966882 | 0.83 | NPC1 (0.57) | NPC1TDP1TRPV1NAAA | |
| SCHEMBL9556815 | 0.83 | NAAA (0.51) | CACNA1FDRD1DRD4DRD5HRH2 | |
| SCHEMBL8599293 | 0.82 | NPC1 (0.81) | NPC1TDP1NAAA | |
| SCHEMBL31329313 | 0.81 | HPGD (0.66) | — |
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 6 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 |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | claimed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | claimed |
| 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 |