Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 6/20 | 0.33 |
| ▸ | RARG | P13631 | 5/20 | 0.33 |
| ▸ | RARA | P10276 | 4/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 6/20 | 0.32 |
| ▸ | RXRB | P28702 | 5/20 | 0.32 |
| ▸ | RXRG | P48443 | 4/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16799475 | 0.76 | DRD2 (0.36) | TP53HIF1AEPAS1CES1CES2 | |
| SCHEMBL8633294 | 0.74 | HTR2A (0.36) | MEN1MAPTMAPK1KMT2A | |
| SCHEMBL15635634 | 0.69 | GRM4 (0.36) | CYP1A2HIF1AEPAS1CES1CES2 | |
| SCHEMBL30946643 | 0.69 | ADRA2A (0.52) | — | |
| SCHEMBL1024155 | 0.69 | ADRA2A (0.52) | — | |
| SCHEMBL31184295 | 0.69 | ADRA2A (0.47) | KDM4EALDH1A1MAPT | |
| SCHEMBL13944881 | 0.69 | ADRA2A (0.47) | KDM4EALDH1A1MAPT | |
| SCHEMBL16799483 | 0.68 | CES1 (0.33) | HIF1AEPAS1CES1CES2BCHE | |
| SCHEMBL16799581 | 0.67 | DRD2 (0.32) | TP53HIF1AEPAS1CES1CES2 | |
| SCHEMBL14842572 | 0.66 | NOS3 (0.35) | — |
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 |