Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 5/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.36 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | UGCG | Q16739 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26645392 | 1.00 | SMO (0.43) | SMOTRPV1TRPM2KCNK3MEN1 | |
| SCHEMBL26645470 | 0.87 | SMO (0.40) | SMOKCNK3P2RX7 | |
| SCHEMBL26645657 | 0.87 | SMO (0.40) | SMOKCNK3P2RX7 | |
| SCHEMBL30622988 | 0.86 | NR1H2 (0.39) | SMOTRPM2 | |
| SCHEMBL30622801 | 0.86 | NR1H2 (0.39) | SMOTRPM2 | |
| SCHEMBL26645067 | 0.85 | SMO (0.40) | SMOMEN1KMT2A | |
| SCHEMBL26645225 | 0.85 | SMO (0.40) | SMOMEN1KMT2A | |
| SCHEMBL26645645 | 0.79 | SMO (0.41) | SMOTRPM2KCNK3MEN1KMT2A | |
| SCHEMBL26645527 | 0.78 | CSNK1E (0.41) | SMOKCNK3 | |
| SCHEMBL26645036 | 0.76 | GRM5 (0.39) | SMOTRPV1CHRNB2CHRNB4CHRNA3 |
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 |