Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 5/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17323254 | 1.00 | BTK (0.40) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL1297403 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL1297399 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL2500717 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL25286574 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL25245251 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL6162465 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL1297008 | 0.90 | BTK (0.43) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL14095460 | 0.84 | CHRM2 (0.44) | BTKMAPK1GRM2GABRR1CHRM2 | |
| SCHEMBL18745507 | 0.84 | DGAT1 (0.38) | MAPK1CHRM2CHRM1CHRM3ALDH1A1 |
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-8153800-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-10 | — | — | US | disclosed |