Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16799621 | 0.76 | GRM5 (0.38) | — | |
| SCHEMBL16800685 | 0.75 | FGFR1 (0.37) | ALDH1A1KDR | |
| SCHEMBL16799023 | 0.73 | GRIN1 (0.38) | ALDH1A1TP53 | |
| SCHEMBL20805424 | 0.71 | CYP19A1 (0.47) | CYP19A1 | |
| SCHEMBL16799547 | 0.70 | GRM5 (0.36) | HTR6HSD11B1 | |
| SCHEMBL16800674 | 0.65 | HSD11B1 (0.38) | CYP19A1MALT1HTR6HSD11B1 | |
| SCHEMBL16801016 | 0.63 | TAAR1 (0.36) | CYP19A1HSD11B1 | |
| SCHEMBL9520467 | 0.62 | SRD5A1 (0.42) | MALT1 | |
| SCHEMBL21848155 | 0.61 | GRIN1 (0.40) | CYP19A1HTR6 | |
| SCHEMBL448750 | 0.60 | CES1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |
| WO-2015083130-A1 | FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-06-11 | — | — | WO | disclosed |