Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18694863 | 0.77 | KDR (0.39) | HCAR2L3MBTL1HCAR3 | |
| SCHEMBL17646571 | 0.75 | KDM4E (0.39) | MAPTTP53KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL23114181 | 0.71 | HCAR2 (0.39) | HCAR2TLR8TLR7L3MBTL1MEN1 | |
| SCHEMBL10968801 | 0.69 | EGLN1 (0.38) | HCAR2 | |
| SCHEMBL28206409 | 0.68 | CYP11B1 (0.33) | MAPTLMNATP53KDM4EALDH1A1 | |
| SCHEMBL28784085 | 0.67 | KDR (0.44) | HCAR2TLR8TLR7L3MBTL1HCAR3 | |
| SCHEMBL28851116 | 0.65 | PTGER1 (0.39) | HCAR2MAPTKDM4EALDH1A1TSHR | |
| SCHEMBL10715676 | 0.65 | CNR2 (0.38) | HCAR2L3MBTL1MEN1KMT2A | |
| SCHEMBL17675165 | 0.64 | LMNA (0.46) | LMNAKDM4EALDH1A1POLBTSHR | |
| SCHEMBL23401237 | 0.64 | TYR (0.37) | TLR8TLR7TYRL3MBTL1 |
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 |