Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL445281 | 0.94 | AHR (0.56) | AHRCA12CA9KEAP1PDPK1 | |
| Acetic Acid SCHEMBL27953390 | 0.81 | KEAP1 (0.56) | AHRCA12CA9KEAP1PDPK1 | |
| Quinoline SCHEMBL28065888 | 0.76 | ALDH1A1 (0.53) | AHRCA12CA9KEAP1PDPK1 | |
| SCHEMBL30204480 | 0.75 | NOS1 (0.42) | AHRCA12CA9KEAP1PDPK1 | |
| Ethoxycarbonyl Group SCHEMBL27778363 | 0.73 | BCHE (0.40) | AHRCA12CA9KEAP1PDPK1 | |
| SCHEMBL15796869 | 0.72 | PARP1 (0.52) | AHRCA12CA9KEAP1PDPK1 | |
| SCHEMBL844649 | 0.72 | PIM3 (0.54) | AHRCA12CA9KEAP1PDPK1 | |
| Cyanide SCHEMBL28891109 | 0.71 | PARP1 (0.50) | AHRKEAP1PDPK1PARP1TRPA1 | |
| SCHEMBL31492457 | 0.70 | AHR (0.60) | AHRKEAP1PDPK1NR3C1PGR | |
| Cyanide SCHEMBL28294768 | 0.69 | PARP1 (0.48) | AHRKEAP1PDPK1PARP1TRPA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | claimed |
| CN-118440081-A | Four-ring condensed skeleton compound containing indoline unit and synthesis method thereof | 西南交通大学 | 2024-08-06 | — | — | CN | disclosed |