Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 1.00 |
| ▸ | MAOA | P21397 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.61 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.50 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL31547204 | 0.94 | SIGMAR1 (0.88) | SIGMAR1MAOACHRM2CXCR4CXCL12 | |
| SCHEMBL9321784 | 0.87 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2CXCR4CXCL12 | |
| SCHEMBL23023177 | 0.87 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2NPC1RAB9A | |
| SCHEMBL23023029 | 0.87 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2NPC1RAB9A | |
| SCHEMBL10425868 | 0.85 | SIGMAR1 (0.73) | SIGMAR1MAOACHRM2NPC1RAB9A | |
| SCHEMBL23022866 | 0.82 | SIGMAR1 (0.69) | SIGMAR1MAOACHRM2MEN1KMT2A | |
| SCHEMBL8569329 | 0.80 | SIGMAR1 (0.67) | SIGMAR1 | |
| SCHEMBL8091682 | 0.79 | SIGMAR1 (0.66) | SIGMAR1MAOARAB9AMEN1KMT2A | |
| SCHEMBL16260102 | 0.79 | MAOA (1.00) | SIGMAR1MAOACHRM2MEN1KMT2A | |
| SCHEMBL4642587 | 0.79 | MAOA (1.00) | SIGMAR1MAOACHRM2MEN1KMT2A |
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 7 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 |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | 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 |