Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | OAT | P04181 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7211625 | 1.00 | CHRM3 (0.36) | CHRM3OATSLC1A2GABRR1 | |
| Trifluoroacetic Acid SCHEMBL31447631 | 1.00 | CHRM3 (0.36) | CHRM3OATSLC1A2GABRR1 | |
| Trifluoroacetic Acid SCHEMBL7212392 | 1.00 | CHRM3 (0.36) | CHRM3OATSLC1A2GABRR1 | |
| Trifluoroacetic Acid SCHEMBL3708706 | 0.88 | OAT (0.34) | CHRM3OATGABRR1 | |
| Trifluoroacetic Acid SCHEMBL14859202 | 0.86 | OAT (0.41) | CHRM3OATSLC1A2GABRR1 | |
| Trifluoroacetic Acid SCHEMBL14858314 | 0.86 | OAT (0.41) | CHRM3OATSLC1A2GABRR1 | |
| Trifluoroacetic Acid SCHEMBL3043598 | 0.86 | MMP8 (0.33) | CHRM3OATSLC1A2 | |
| Cycloheptanamine SCHEMBL27746259 | 0.84 | ALDH1A1 (0.36) | CHRM3 | |
| Cyclohexylamine SCHEMBL1787821 | 0.84 | ALDH1A1 (0.36) | CHRM3 | |
| Bicarbonate SCHEMBL8358952 | 0.83 | GABRR1 (0.39) | OATGABRR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736557-A | MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM | HOFFMAN-LA ROCHE, INC. (US) | 1998-04-07 | — | — | US | disclosed |