Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL10758156 | 0.88 | CYP2A6 (0.43) | CYP2A6PRNPPPARGRXFP1NR2E3 | |
| SCHEMBL10756969 | 0.80 | L3MBTL1 (0.45) | CYP2A6ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL12978548 | 0.79 | GABRP (0.40) | ALDH1A1MAPTGABRPGABRDGABRA1 | |
| SCHEMBL13694599 | 0.78 | L3MBTL1 (0.47) | PRNPPPARGRXFP1NR2E3NCOR2 | |
| SCHEMBL14615044 | 0.77 | ALDH1A1 (0.40) | PRNPPPARGRXFP1NR2E3NCOR2 | |
| SCHEMBL21243221 | 0.76 | APP (0.39) | PRNPPPARGRXFP1ALDH1A1MAPT | |
| SCHEMBL14615049 | 0.76 | CYP2C9 (0.44) | PRNPPPARGRXFP1NR2E3NCOR2 | |
| SCHEMBL4655105 | 0.74 | CYP2A6 (0.40) | CYP2A6RXFP1ALDH1A1PTPN1DYRK1A | |
| SCHEMBL14615110 | 0.73 | ALOX5 (0.34) | PRNPPPARGRXFP1NR2E3NCOR2 | |
| SCHEMBL14615113 | 0.71 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4EGAAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007016784-A1 | NOVEL SUBSTITUTED 1,2,3-TΠAZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTΠENE BIOSYNTHESIS INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-02-15 | — | — | WO | disclosed |