Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8098968 | 0.76 | CYP2D6 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9668424 | 0.76 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8084418 | 0.73 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL23330351 | 0.73 | UGT2B7 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL2349995 | 0.71 | BACE1 (0.46) | SLC6A4CYP2D6CYP1A2HIF1A | |
| SCHEMBL16684715 | 0.70 | UGT2B7 (0.59) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL5401290 | 0.70 | UGT2B7 (0.59) | CYP2D6MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL8093077 | 0.70 | CASR (0.49) | CYP1A2CASR | |
| SCHEMBL5877749 | 0.70 | GRIA4 (0.61) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL74874 | 0.69 | UGT2B7 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 9 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 |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |