Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 6/20 | 0.43 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | GALR1 | P47211 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622995 | 1.00 | CFTR (0.44) | CFTRGRM5SMPD3NR1H2ABHD6 | |
| SCHEMBL30622947 | 0.88 | CFTR (0.44) | CFTRGRM5SMPD3NR1H2HTT | |
| SCHEMBL26645632 | 0.88 | CFTR (0.44) | CFTRGRM5SMPD3NR1H2HTT | |
| SCHEMBL26645758 | 0.87 | GRM5 (0.43) | GRM5NR1H2MEN1KMT2AGPR119 | |
| SCHEMBL16711314 | 0.85 | GRM5 (0.50) | GRM5NR1H2HTT | |
| SCHEMBL26645030 | 0.84 | HTT (0.55) | GRM5NR1H2HTTMEN1KMT2A | |
| SCHEMBL16711195 | 0.82 | GRM5 (0.50) | GRM5NR1H2 | |
| SCHEMBL24277112 | 0.82 | GRM5 (0.44) | GRM5NR1H2MEN1KMT2A | |
| SCHEMBL26645772 | 0.82 | GRM5 (0.51) | GRM5NR1H2HTTMEN1KMT2A | |
| SCHEMBL30622856 | 0.82 | GALR2 (0.54) | CFTRNR1H2GALR2GALR1STS |
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-2023213882-A1 | IRREVERSIBLE MUTEGFR INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-09 | — | — | WO | disclosed |