Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
| ▸ | NAAA | Q02083 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27405797 | 0.87 | NPC1 (0.70) | HPGDRAB9AKMT2AALDH1A1MEN1 | |
| SCHEMBL16314622 | 0.85 | USP2 (0.65) | RAB9AKMT2AHTTSMN1; SMN2NAAA | |
| SCHEMBL8084492 | 0.85 | TRPV1 (0.60) | NPC1TRPV1NAAA | |
| SCHEMBL7376148 | 0.84 | NPC1 (0.76) | HPGDRAB9AKMT2AMEN1NPC1 | |
| SCHEMBL8084480 | 0.83 | NAAA (0.62) | HPGDRAB9AKMT2AALDH1A1MEN1 | |
| SCHEMBL8092580 | 0.82 | GRM5 (0.53) | HPGDKMT2AALDH1A1MEN1NAAA | |
| Hydrochloric Acid SCHEMBL10413762 | 0.82 | NAAA (0.59) | NPC1TRPV1NAAA | |
| SCHEMBL9557028 | 0.82 | NAAA (0.58) | KMT2AMEN1NAAAHRH3 | |
| SCHEMBL8097185 | 0.81 | SMN1; SMN2 (0.64) | HPGDRAB9AKMT2AALDH1A1MEN1 | |
| SCHEMBL9556913 | 0.81 | HPGD (0.53) | HPGDRAB9AKMT2AALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |