Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24015004 | 0.82 | TRPA1 (0.31) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24013741 | 0.80 | TRPA1 (0.32) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24014431 | 0.78 | TRPA1 (0.32) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24015096 | 0.78 | TRPA1 (0.32) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24013850 | 0.78 | TRPA1 (0.30) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24015085 | 0.77 | TRPA1 (0.31) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24015074 | 0.76 | TRPA1 (0.31) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24015013 | 0.74 | TRPA1 (0.47) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24007492 | 0.74 | TRPA1 (0.41) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL24006760 | 0.72 | TRPA1 (0.48) | TRPA1LMNACHRM1SLC6A2ADRA1A |
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-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |