Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 SCHEMBL8092291 | 0.98 | KMT2A (0.55) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5082438 | 0.90 | SIGMAR1 (0.53) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL31010347 | 0.85 | KMT2A (0.61) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL17342294 | 0.85 | KMT2A (0.61) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL11691263 | 0.85 | NPC1 (0.48) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5082809 | 0.85 | KMT2A (0.48) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL4761106 | 0.84 | NAAA (0.49) | KMT2ACYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL11691375 | 0.84 | NPC1 (0.47) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10766683 | 0.83 | CYP2D6 (0.58) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10611156 | 0.83 | CYP2D6 (0.58) | KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1 |
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 12 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 |
| EP-0507863-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | — | 1993-07-07 | — | — | EP | claimed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | claimed |
| EP-0507863-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1992-10-14 | — | — | EP | 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 |
| EP-0507863-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | — | 1993-07-07 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |
| EP-0507863-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | disclosed |