Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16835518 | 0.90 | GRM5 (0.38) | GRM5CYP3A4CYP1A2HIF1ASPR | |
| SCHEMBL16835521 | 0.89 | MGLL (0.43) | CYP3A4HIF1ASPRHSD11B1CYP2C19 | |
| SCHEMBL30329203 | 0.85 | GRM5 (0.52) | GRM5CYP3A4CYP1A2HIF1ASPR | |
| SCHEMBL22032412 | 0.85 | GRM5 (0.56) | GRM5CYP3A4CYP1A2HIF1ASPR | |
| SCHEMBL4066092 | 0.85 | GRM5 (0.52) | GRM5CYP3A4CYP1A2HIF1ASPR | |
| SCHEMBL23859695 | 0.83 | MGLL (0.34) | CYP3A4HIF1ACYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL4072598 | 0.83 | GRM5 (0.59) | GRM5CYP3A4CYP1A2HIF1ASPR | |
| SCHEMBL18422376 | 0.81 | GRM5 (0.49) | GRM5CYP3A4CYP1A2HIF1AHSD11B1 | |
| SCHEMBL16835471 | 0.79 | MGLL (0.39) | CYP3A4CYP1A2HIF1ASPRHSD11B1 | |
| SCHEMBL485174 | 0.77 | USP2 (0.39) | CYP3A4CYP1A2CYP2C19CYP2D6TSHR |
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-2016190847-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2016-12-01 | — | — | WO | disclosed |