Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16295874 | 0.87 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3GAALMNA | |
| SCHEMBL11275925 | 0.80 | PTGS1 (0.50) | GPBAR1SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL641107 | 0.78 | MAPT (0.56) | GAALMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28109277 | 0.77 | SLC6A2 (0.51) | GPBAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7668913 | 0.77 | CYP3A4 (0.52) | SLC6A2SLC6A3GAALMNACYP1A2 | |
| SCHEMBL9488215 | 0.76 | RHEB (0.55) | GPBAR1SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL9645013 | 0.76 | CYP1A2 (0.51) | GPBAR1GAALMNACYP1A2CYP2C9 | |
| SCHEMBL2216993 | 0.76 | GPBAR1 (0.62) | GPBAR1GAATP53TSHR | |
| Hydrochloric Acid SCHEMBL27958782 | 0.76 | SLC6A2 (0.50) | GPBAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16296119 | 0.75 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3GAACYP1A2 |
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-2014199164-A1 | DIARYL SUBSTITUTED HETEROAROMATIC COMPOUNDS | AMPLA PHARMACEUTICALS, INC. (US) | 2014-12-18 | — | — | WO | disclosed |