Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17675109 | 0.87 | ALDH1A1 (0.40) | SCN10AALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL23779512 | 0.76 | SCN10A (0.58) | SCN10A | |
| SCHEMBL30562619 | 0.74 | SCN10A (0.43) | SCN10A | |
| SCHEMBL25388954 | 0.74 | SCN10A (0.43) | SCN10A | |
| SCHEMBL8828513 | 0.72 | KMT2A (0.49) | ALDH1A1KMT2AKDM4EMEN1CYP1A2 | |
| SCHEMBL26249047 | 0.71 | ADORA2A (0.34) | SCN10AKDM4ETSHRCHRM3PDE4A | |
| SCHEMBL25389574 | 0.70 | SCN10A (0.49) | SCN10A | |
| SCHEMBL28628441 | 0.70 | NPC1 (0.39) | ALDH1A1KMT2AKDM4EMEN1TSHR | |
| Hydrochloric Acid SCHEMBL27468195 | 0.70 | KMT2A (0.47) | ALDH1A1KMT2AKDM4EMEN1CYP1A2 | |
| SCHEMBL21905975 | 0.70 | SCN10A (0.54) | SCN10AALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |