Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.41 |
| ▸ | HRH1 | P35367 | 4/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309688 | 0.89 | MAPK1 (0.46) | HRH4HRH1HRH2HRH3KDM4E | |
| SCHEMBL24310524 | 0.85 | BRD4 (0.37) | — | |
| SCHEMBL24310306 | 0.84 | CDK4 (0.34) | MAP4K1HRH4MELKALK | |
| SCHEMBL24309807 | 0.83 | CDK4 (0.33) | MAP4K1NPC1MAPTRAB9AALK | |
| SCHEMBL24310517 | 0.82 | CDK4 (0.33) | MAP4K1HRH4 | |
| SCHEMBL24310329 | 0.82 | MET (0.32) | MAP4K1KDM1A | |
| SCHEMBL24310325 | 0.82 | MAP4K1 (0.32) | MAP4K1NPC1MAPTRAB9AALK | |
| SCHEMBL26826527 | 0.81 | HRH1 (0.42) | MAP4K1HRH4HRH1MELKHRH2 | |
| SCHEMBL24309676 | 0.80 | FLT3 (0.38) | MAP4K1 | |
| SCHEMBL24310202 | 0.80 | PLK4 (0.38) | MAP4K1KDM4EALDH1A1MAPTSMN1; SMN2 |
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 |