Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GPR39 | O43194 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | TPX2 | Q9ULW0 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309588 | 0.80 | PKM (0.49) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL29566945 | 0.80 | PKM (0.49) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL24309476 | 0.73 | GPR39 (0.41) | NPC1RAB9ASMN1; SMN2HTTMAPK1 | |
| SCHEMBL24309988 | 0.72 | GPR39 (0.43) | NPC1RAB9ASMN1; SMN2LMNAHTT | |
| SCHEMBL26807087 | 0.72 | PKM (0.50) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL24330507 | 0.71 | FFAR1 (0.33) | LMNAALDH1A1MAPT | |
| SCHEMBL26807176 | 0.71 | PLA2G7 (0.46) | SMN1; SMN2LMNAHTTGAAMAPK1 | |
| SCHEMBL26810957 | 0.68 | TSHR (0.54) | SMN1; SMN2LMNAHTTALDH1A1GAA | |
| SCHEMBL24310543 | 0.68 | MAP4K1 (0.39) | BRD4AURKA | |
| SCHEMBL24310294 | 0.67 | GPR39 (0.38) | LMNAHTTALDH1A1GAAMAPK1 |
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 |