Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.54 |
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9989291 | 0.95 | TAAR1 (0.61) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL11383498 | 0.88 | TAAR1 (0.65) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL12040551 | 0.86 | TAAR1 (0.62) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL3508827 | 0.86 | SIGMAR1 (0.63) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL16212524 | 0.82 | ADRA2C (0.60) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL6265706 | 0.82 | SIGMAR1 (0.58) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1504932 | 0.81 | SIGMAR1 (0.60) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL5535930 | 0.81 | TAAR1 (0.53) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL22579188 | 0.81 | KDM4E (0.63) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 | |
| SCHEMBL8084196 | 0.80 | SIGMAR1 (0.59) | SIGMAR1CYP2D6TP53CYP1A2CYP3A4 |
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 | 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 |