Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18150081 | 0.89 | VKORC1 (0.50) | VKORC1MGAMGAASIMGAM2 | |
| SCHEMBL8552 | 0.80 | MAPK14 (0.53) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL31511408 | 0.77 | TNKS (0.53) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL18150266 | 0.74 | VKORC1 (0.54) | VKORC1ALDH1A1NQO1CYP2C9CRHBP | |
| SCHEMBL27699860 | 0.73 | NPC1 (0.48) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL8336100 | 0.73 | VKORC1 (0.74) | VKORC1TOP2AALDH1A1NQO1CYP2C9 | |
| SCHEMBL11480111 | 0.73 | MAOB (0.68) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL9011 | 0.71 | MAPK14 (0.50) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL8364 | 0.71 | MAPK14 (0.59) | PTGS2MAPK14GABRPGABRDTNKS | |
| SCHEMBL28582663 | 0.70 | GABRP (0.49) | PTGS2MAPK14GABRPGABRDTNKS |
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-101146802-A | Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD (CA) | 2008-03-19 | — | — | CN | disclosed |