Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | EEF2K | O00418 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | NEK4 | P51957 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008073 | 0.75 | CYP1A2 (0.40) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL19970467 | 0.74 | GPR84 (0.44) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL15656127 | 0.72 | CYP1A2 (0.40) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL8865515 | 0.70 | CYP1A2 (0.52) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL25485142 | 0.70 | NQO1 (0.44) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL5457232 | 0.70 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP1A2MAPK1GPR84 | |
| SCHEMBL14533952 | 0.70 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 | |
| SCHEMBL2910589 | 0.69 | GPR84 (0.47) | ALDH1A1HPGDGPR84KDM4E | |
| SCHEMBL31187370 | 0.68 | MYC (0.32) | ALDH1A1HPGDHSD17B10CDC7EEF2K | |
| SCHEMBL28436429 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP1A2HSD17B10CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5532374-A | Method of preparation of bis-quinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1996-07-02 | — | — | US | disclosed |