Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158236 | 1.00 | MRGPRX4 (0.50) | MRGPRX4TP53HTTHIF1ACLCN2 | |
| SCHEMBL29404403 | 0.89 | SMN1; SMN2 (0.45) | HTT | |
| SCHEMBL179965 | 0.89 | SMN1; SMN2 (0.45) | HTT | |
| SCHEMBL29564029 | 0.89 | SMN1; SMN2 (0.45) | HTT | |
| SCHEMBL42033 | 0.89 | SMN1; SMN2 (0.45) | HTT | |
| SCHEMBL1655460 | 0.89 | SMN1; SMN2 (0.45) | HTT | |
| SCHEMBL7170040 | 0.88 | HTT (0.60) | MRGPRX4TP53HTTHDAC8 | |
| SCHEMBL7170044 | 0.88 | HTT (0.60) | MRGPRX4TP53HTTHDAC8 | |
| SCHEMBL8165193 | 0.86 | MRGPRX4 (0.51) | MRGPRX4TP53HTT | |
| SCHEMBL8165185 | 0.86 | MRGPRX4 (0.51) | MRGPRX4TP53HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6084120-A | ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0996439-A1 | $g(b)-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999002150-A1 | β-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-21 | — | — | WO | disclosed |