Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 9/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | IL2 | P60568 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13204716 | 0.85 | MAPT (0.57) | NPC1KDM4EMAPTRAB9A | |
| SCHEMBL15099971 | 0.78 | KDM4E (0.57) | PYGLNHERF1NPC1KDM4EMAPT | |
| SCHEMBL14845704 | 0.76 | TP53 (0.54) | NPC1KDM4EMAPTEGFRRAB9A | |
| SCHEMBL19085805 | 0.74 | EGFR (0.44) | PYGLNHERF1NPC1KDM4EMAPT | |
| SCHEMBL12741547 | 0.73 | KDM4E (0.52) | NPC1KDM4EMAPTRAB9A | |
| SCHEMBL13202977 | 0.73 | KDM4E (0.52) | NPC1KDM4EMAPTRAB9A | |
| SCHEMBL12741289 | 0.73 | KDM4E (0.52) | NPC1KDM4EMAPTRAB9A | |
| SCHEMBL108018 | 0.69 | BCHE (0.63) | BCHEACHEKDM4EMAPT | |
| SCHEMBL5641332 | 0.68 | MEN1 (0.72) | NPC1MAOBRAB9A | |
| SCHEMBL19427518 | 0.65 | BCHE (0.64) | BCHEACHEKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7776905-B2 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-17 | — | — | US | disclosed |