Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309565 | 0.89 | PPARG (0.34) | BRD4MAP4K1F10HSP90AA1 | |
| SCHEMBL24310102 | 0.85 | BRD4 (0.39) | BRD4NR1H2NR1H3DHFRNPC1 | |
| SCHEMBL29567111 | 0.85 | BRD4 (0.39) | BRD4NR1H2NR1H3DHFRNPC1 | |
| SCHEMBL24309567 | 0.85 | PTK2 (0.39) | HPGDLMNATDP1 | |
| SCHEMBL24309575 | 0.82 | NPC1 (0.33) | BRD4NPC1SYKALDH1A1LMNA | |
| SCHEMBL24310211 | 0.82 | PTK2 (0.35) | MAP4K1F10 | |
| SCHEMBL24309561 | 0.81 | KMT2A (0.31) | SYKMAP4K1ALDH1A1LMNAKDR | |
| SCHEMBL24310126 | 0.81 | AURKA (0.36) | MAP4K1ALDH1A1LMNAF10 | |
| SCHEMBL26810173 | 0.79 | BRD4 (0.38) | BRD4NR1H2NR1H3DHFRNPC1 | |
| SCHEMBL24309553 | 0.79 | MAP4K1 (0.31) | MAP4K1 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |