Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.40 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL26645225 | 1.00 | SMO (0.40) | SMOSLC6A7KDM4EALDH1A1HPGD | |
| SCHEMBL26645470 | 0.88 | SMO (0.40) | SMOGRM5 | |
| SCHEMBL26645657 | 0.88 | SMO (0.40) | SMOGRM5 | |
| SCHEMBL26645392 | 0.85 | SMO (0.43) | SMOMEN1KMT2A | |
| SCHEMBL26645185 | 0.85 | SMO (0.43) | SMOMEN1KMT2A | |
| SCHEMBL30622953 | 0.85 | KCNK3 (0.42) | SMOCNR1MEN1KMT2A | |
| SCHEMBL30622883 | 0.85 | KCNK3 (0.42) | SMOCNR1MEN1KMT2A | |
| SCHEMBL26645621 | 0.83 | MAPK14 (0.40) | SMOSLC6A7 | |
| SCHEMBL26645097 | 0.83 | MAPK14 (0.40) | SMOSLC6A7 | |
| SCHEMBL26645369 | 0.76 | — | — |
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 |