Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2857937 | 0.82 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1SMN1; SMN2PTGS2 | |
| SCHEMBL28015970 | 0.81 | ALDH1A1 (0.50) | GABRA1GABRB2ALDH1A1MAPTGAA | |
| SCHEMBL11826890 | 0.81 | GABRA1 (0.43) | GABRA1GABRB2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL20850041 | 0.77 | GABRA1 (0.43) | GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX12 | |
| SCHEMBL6893053 | 0.77 | GABRA1 (0.40) | GABRA1GABRB2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13105884 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1SMN1; SMN2PTGS2 | |
| SCHEMBL501450 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL424866 | 0.76 | L3MBTL1 (0.50) | GABRA1GABRB2ALDH1A1PTGS2L3MBTL1 | |
| SCHEMBL8093727 | 0.74 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX12 | |
| SCHEMBL6241927 | 0.74 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |