Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | RHOA | P61586 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24298907 | 0.91 | PARP1 (0.38) | — | |
| SCHEMBL22509298 | 0.88 | CYP1A2 (0.40) | CYP1A2CYP2C9HPGDHSD17B10ENPP2 | |
| SCHEMBL24326406 | 0.87 | SYK (0.40) | CYP1A2CYP2C9HPGDHSD17B10APEX1 | |
| SCHEMBL24323828 | 0.82 | PIK3CD (0.34) | CYP1A2CYP2C9HPGDHSD17B10APEX1 | |
| SCHEMBL26846380 | 0.82 | SCN4A (0.34) | CYP1A2CYP2C9HPGDHSD17B10APEX1 | |
| SCHEMBL24329987 | 0.81 | PLK1 (0.35) | L3MBTL1 | |
| SCHEMBL24323158 | 0.81 | KDM4E (0.35) | CYP1A2CYP2C9HPGDHSD17B10APEX1 | |
| SCHEMBL27024729 | 0.80 | SRC (0.44) | HPGDPOLBL3MBTL1SRC | |
| SCHEMBL22509294 | 0.79 | AAK1 (0.34) | CYP1A2CYP2C9HPGDHSD17B10APEX1 | |
| SCHEMBL27012787 | 0.79 | SRC (0.41) | HPGDSRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076621-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |