Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM5A | P29375 | 3/20 | 0.44 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10451607 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| SCHEMBL10456237 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| SCHEMBL10438373 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| SCHEMBL10438376 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| SCHEMBL10438441 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| SCHEMBL10438445 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| Water SCHEMBL9249592 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| Hydrochloric Acid SCHEMBL9517173 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| Water SCHEMBL9248715 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A | |
| Water SCHEMBL9248602 | 0.98 | SIGMAR1 (0.96) | SIGMAR1CYP1A2ALDH1A1TSHRKDM5A |
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 |