Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL10240551 | 0.85 | TRPA1 (0.43) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL15308657 | 0.81 | TRPA1 (0.40) | TRPA1IDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL2389571 | 0.79 | TAAR1 (0.45) | TRPA1IDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL7654059 | 0.79 | TAAR1 (0.40) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL8771711 | 0.79 | TRPA1 (0.43) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL24822460 | 0.79 | TRPA1 (0.39) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL14581610 | 0.78 | TRPA1 (0.41) | TRPA1IDO1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL20244629 | 0.76 | AKT1 (0.41) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL24233039 | 0.76 | GABRA1 (0.43) | TRPA1CYP1A2CYP2A6TAAR1LMNA | |
| SCHEMBL18711204 | 0.76 | ESR1 (0.36) | TRPA1CYP1A2CYP2A6TAAR1LMNA |
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-3138842-B1 | POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS | ZHEJIANG DTRM BIOPHARMA CO LTD (CN) | 2020-12-09 | — | — | EP | disclosed |