Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8100063 | 0.89 | BCHE (0.58) | SIGMAR1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL9752836 | 0.86 | DRD2 (0.45) | SIGMAR1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL9372954 | 0.86 | SIGMAR1 (0.53) | SIGMAR1GAALMNANPC1RAB9A | |
| SCHEMBL9380373 | 0.86 | SIGMAR1 (0.43) | SIGMAR1MAPTGAALMNANPC1 | |
| SCHEMBL8091780 | 0.83 | SIGMAR1 (0.53) | SIGMAR1KMT2APOLBMEN1TP53 | |
| SCHEMBL8099093 | 0.82 | SIGMAR1 (0.52) | SIGMAR1NPC1RAB9AKMT2APOLB | |
| SCHEMBL9752778 | 0.82 | MEN1 (0.46) | SIGMAR1NPC1RAB9AKMT2APOLB | |
| SCHEMBL8101722 | 0.80 | CALM1 (0.54) | SIGMAR1GAALMNANPC1RAB9A | |
| SCHEMBL9378564 | 0.80 | SIGMAR1 (0.51) | SIGMAR1NPC1RAB9AKMT2APOLB | |
| SCHEMBL8096264 | 0.80 | SIGMAR1 (0.51) | SIGMAR1RAB9AKMT2APOLBMEN1 |
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 2 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 |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | claimed |