Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310306 | 0.90 | CDK4 (0.34) | CDK4CDK2GSK3BMAP4K1ITK | |
| SCHEMBL24310517 | 0.88 | CDK4 (0.33) | CDK4CDK2GSK3BMAP4K1BRD4 | |
| SCHEMBL24310329 | 0.88 | MET (0.32) | CDK4CDK2GSK3BMAP4K1 | |
| SCHEMBL29567566 | 0.85 | HTR2C (0.36) | CDK4CDK2GSK3BBRD4NPC1 | |
| SCHEMBL24309804 | 0.85 | HTR2C (0.36) | CDK4CDK2GSK3BBRD4NPC1 | |
| SCHEMBL24310522 | 0.85 | MAP4K1 (0.31) | CDK4CDK2GSK3BMAP4K1BRD4 | |
| SCHEMBL24310325 | 0.84 | MAP4K1 (0.32) | CDK4CDK2GSK3BMAP4K1FGFR1 | |
| SCHEMBL24310318 | 0.83 | MAP4K1 (0.42) | MAP4K1NPC1MAPTMAPK1RAB9A | |
| SCHEMBL24310560 | 0.80 | IRAK4 (0.34) | CDK4MAP4K1BRD4NPC1TP53 | |
| SCHEMBL24309676 | 0.78 | FLT3 (0.38) | CDK4CDK2MAP4K1TSHRKMT2A |
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 |