Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267708 | 0.94 | GPBAR1 (0.43) | GPBAR1CNR1POLBSMN1; SMN2CNR2 | |
| SCHEMBL11923190 | 0.90 | GPBAR1 (0.41) | GPBAR1CNR1POLBSMN1; SMN2CNR2 | |
| SCHEMBL8267731 | 0.85 | GPBAR1 (0.43) | GPBAR1CNR1CNR2TACR1 | |
| SCHEMBL11923165 | 0.85 | TACR1 (0.39) | GPBAR1CNR1POLBSMN1; SMN2CNR2 | |
| SCHEMBL11923235 | 0.84 | ALDH1A1 (0.40) | GPBAR1CNR1POLBSMN1; SMN2CNR2 | |
| SCHEMBL11923230 | 0.82 | PTPN11 (0.40) | POLBSMN1; SMN2TACR1ALDH1A1AKT1 | |
| SCHEMBL11923211 | 0.80 | TACR1 (0.39) | POLBSMN1; SMN2CNR2TACR1ALDH1A1 | |
| SCHEMBL8266014 | 0.80 | HSD17B10 (0.48) | CNR1POLBSMN1; SMN2CNR2TACR1 | |
| SCHEMBL8267649 | 0.80 | MAPT (0.40) | POLBSMN1; SMN2TACR1ALDH1A1PTPN11 | |
| SCHEMBL8266203 | 0.79 | TACR1 (0.35) | GPBAR1CNR1POLBSMN1; SMN2CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | disclosed |