Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.40 |
| ▸ | ATR | Q13535 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL19204856 | 0.79 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ATRMAPT | |
| SCHEMBL28348643 | 0.79 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ATRMAPT | |
| SCHEMBL19249525 | 0.79 | ESR1 (0.42) | ESR1CYP4F2CYP4A11ATRMAPT | |
| SCHEMBL31411343 | 0.76 | ESR1 (0.38) | ESR1CYP4F2CYP4A11ATRMAPT | |
| SCHEMBL31411379 | 0.76 | ESR1 (0.40) | ESR1CYP4F2CYP4A11ATRMAPT | |
| SCHEMBL29643925 | 0.75 | RXRA (0.37) | CYP4F2CYP4A11ATRMAPTOPRM1 | |
| SCHEMBL22890598 | 0.75 | RXRA (0.37) | CYP4F2CYP4A11ATRMAPTOPRM1 | |
| SCHEMBL31411460 | 0.74 | ESR1 (0.41) | ESR1CYP4F2CYP4A11ATRALDH1A1 | |
| SCHEMBL30039785 | 0.74 | ESR1 (0.41) | ESR1CYP4F2CYP4A11ATRALDH1A1 | |
| SCHEMBL31411347 | 0.72 | ESR1 (0.36) | ESR1CYP4F2CYP4A11ATRALDH1A1 |
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-2017133664-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT， AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |