Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 5/20 | 0.46 |
| ▸ | RHEB | Q15382 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | RAF1 | P04049 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2877152 | 0.84 | ROCK2 (0.54) | ROCK2TRPA1NOS1AXLRAF1 | |
| SCHEMBL28199257 | 0.81 | NOS1 (0.57) | ROCK2NOS1AXLEPAS1 | |
| SCHEMBL2876576 | 0.79 | HSPB1 (0.50) | ROCK2TRPA1NOS1RAF1BRAF | |
| SCHEMBL3484118 | 0.76 | NOS1 (0.50) | ROCK2NOS1RHEBP2RX3AXL | |
| SCHEMBL28509646 | 0.74 | NOS1 (0.48) | TRPA1NOS1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL30194080 | 0.74 | NOS1 (0.48) | TRPA1NOS1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL23536624 | 0.73 | NOS1 (0.53) | TRPA1NOS1AXLRAF1BRAF | |
| SCHEMBL17714209 | 0.71 | CYP11B1 (0.54) | TRPA1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL5951586 | 0.69 | AXL (0.63) | TRPA1NOS1AXLRAF1BRAF | |
| SCHEMBL30469214 | 0.69 | AXL (0.63) | TRPA1NOS1AXLRAF1BRAF |
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-2021127333-A1 | TRPML MODULATORS | CASMA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |