Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | SAT1 | P21673 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 3/20 | 0.42 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.42 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9378642 | 0.98 | SIGMAR1 (0.60) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL893878 | 0.84 | SAT1 (0.58) | SIGMAR1GNAI3GNAO1GNAI1HDAC3 | |
| SCHEMBL11067343 | 0.83 | EPHX1 (0.47) | SIGMAR1GNAI3GNAO1GNAI1HDAC3 | |
| SCHEMBL24500037 | 0.82 | ADH1B (0.48) | SIGMAR1CYP1A2HDAC3HDAC4HDAC1 | |
| SCHEMBL14606660 | 0.82 | ADH1B (0.48) | SIGMAR1CYP1A2HDAC3HDAC4HDAC1 | |
| SCHEMBL21799482 | 0.82 | SIGMAR1 (0.55) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL8603624 | 0.82 | GNAI3 (0.66) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL21799651 | 0.82 | SIGMAR1 (0.55) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL21799707 | 0.82 | SIGMAR1 (0.55) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL21799693 | 0.82 | SIGMAR1 (0.55) | SIGMAR1CYP1A2GNAI3GNAO1GNAI1 |
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 |