Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887020 | 1.00 | TRPA1 (0.34) | TRPA1ALDH1A1MLNRCYP2D6DAO | |
| SCHEMBL23886912 | 0.85 | KCNH2 (0.36) | ALDH1A1TSHRHTT | |
| SCHEMBL23886566 | 0.84 | KDM2B (0.40) | TRPA1ALDH1A1LMNAHTT | |
| SCHEMBL25512129 | 0.83 | TRPA1 (0.34) | TRPA1ALDH1A1MLNRCYP2D6DAO | |
| Hydrochloric Acid SCHEMBL23886576 | 0.83 | KDM2B (0.40) | TRPA1ALDH1A1LMNAHTT | |
| SCHEMBL23886721 | 0.82 | GPR119 (0.38) | — | |
| SCHEMBL23886477 | 0.78 | KDM2B (0.44) | LMNA | |
| SCHEMBL23886696 | 0.76 | GPR119 (0.33) | TRPA1 | |
| SCHEMBL21783598 | 0.75 | ALDH1A1 (0.37) | ALDH1A1MLNRCYP2D6DAOLMNA | |
| SCHEMBL25511865 | 0.73 | PIK3CD (0.41) | ALDH1A1CYP2D6LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-4126876-A1 | PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS | Global Blood Therapeutics, Inc. (US) | 2023-02-08 | — | — | EP | disclosed |