Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.43 |
| ▸ | CDK2 | P24941 | 5/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9179011 | 0.79 | PTGS1 (0.68) | ALDH1A1GAATDP1PTGS1PTGS2 | |
| SCHEMBL7127478 | 0.74 | PTGS1 (0.58) | PTGS1PTGS2CA1CA2 | |
| SCHEMBL5840422 | 0.74 | KDR (0.72) | CCNE2CCNE1CDK2KDRLIMK1 | |
| SCHEMBL17632040 | 0.71 | ABL1 (0.62) | CCNE2CCNE1CDK2PIK3CGKDR | |
| SCHEMBL179490 | 0.71 | CCNE1 (0.52) | CCNE2CCNE1CDK2PIK3CGPIK3CA | |
| SCHEMBL3901196 | 0.71 | ATAD2 (0.45) | CCNE1CDK2PIK3CGPIK3CDPIK3R1 | |
| SCHEMBL6916158 | 0.71 | ERCC1 (0.53) | CCNE2CCNE1CDK2PIK3CGPIK3CD | |
| SCHEMBL12991170 | 0.71 | MEN1 (0.48) | CCNE2CCNE1CDK2PIK3CGPIK3CD | |
| SCHEMBL4307403 | 0.70 | LIMK1 (0.51) | CCNE2CCNE1CDK2PIK3CGPIK3CA | |
| SCHEMBL12496031 | 0.69 | KDR (0.50) | CCNE2CCNE1CDK2PIK3CAKDR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371438-B1 | 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents | WARNER LAMBERT CO (US) | 1995-08-30 | — | — | EP | disclosed |
| US-5155122-A | Cyclooxygenase, lipoxygenase inhibitors | WARNER-LAMBERT COMPANY (US) | 1992-10-13 | — | — | US | disclosed |