Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | DDO | Q99489 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27987879 | 0.79 | CYP4F2 (0.38) | KDM4EMAPTTP53GAAHTT | |
| SCHEMBL2222961 | 0.74 | ADORA2A (0.47) | KDM4EMAPTTP53GAAHSD17B10 | |
| SCHEMBL22084269 | 0.73 | KDM4E (0.42) | KDM4EMAPTTP53GAAHTT | |
| SCHEMBL1832253 | 0.73 | CYP1A2 (0.41) | KDM4EMAPTGAAHSD17B10LMNA | |
| SCHEMBL3333164 | 0.73 | GRM2 (0.48) | KDM4EMAPTGRM2AURKAADORA2A | |
| SCHEMBL8134178 | 0.71 | HTT (0.39) | KDM4EMAPTTP53GAAHTT | |
| SCHEMBL27863966 | 0.71 | ABCB11 (0.39) | KDM4EMAPTTP53GAAHTT | |
| SCHEMBL2518688 | 0.70 | KDM4E (0.46) | KDM4EMAPTGAAHSD17B10CYP3A4 | |
| SCHEMBL28815163 | 0.70 | KDM4E (0.41) | KDM4EGAAHSD17B10GRM2AURKA | |
| SCHEMBL27988221 | 0.70 | CYP4F2 (0.37) | GAATNKSPARP1TNKS2CYP4F2 |
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-102651970-B | Quinoline amide m1 receptor positive allosteric modulators | MERCK SHARP & DOHME | 2014-11-12 | — | — | CN | disclosed |