Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SCN4A | P35499 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 5/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | AMPD2 | Q01433 | 3/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| Indole SCHEMBL28214491 | 0.88 | TRPA1 (0.45) | TRPA1CA1CA2ITGB2ICAM1 | |
| SCHEMBL1286806 | 0.85 | LMNA (0.55) | LMNATSHRMAPK1SCN4ASCN5A | |
| Hydrochloric Acid SCHEMBL28145471 | 0.83 | LMNA (0.53) | LMNATSHRMAPK1SCN4ASCN5A | |
| Indole SCHEMBL27827279 | 0.81 | TRPA1 (0.38) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28196583 | 0.80 | TRPA1 (0.50) | TRPA1CA1CA2ITGB2ICAM1 | |
| SCHEMBL28205987 | 0.78 | P2RX4 (0.40) | LMNATSHRMAPK1SCN4ASCN5A | |
| SCHEMBL28081008 | 0.77 | KDM4E (0.38) | LMNATSHRMAPK1SCN4ASCN5A | |
| Isoquinoline SCHEMBL28191779 | 0.76 | LMNA (0.40) | LMNATSHRMAPK1SCN4ASCN5A | |
| Indole SCHEMBL5205084 | 0.73 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27631042 | 0.73 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105073741-B | Phthalazinones and isoquinolinones as ROCK inhibitors | 百时美施贵宝公司 | 2017-08-08 | — | — | CN | disclosed |