Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443409 | 0.76 | — | — | |
| SCHEMBL19326560 | 0.72 | CES1 (0.38) | CES2CES1ALDH1A1TP53 | |
| SCHEMBL10932081 | 0.71 | — | — | |
| SCHEMBL8915035 | 0.65 | CA2 (0.40) | CES2CES1ALDH1A1 | |
| SCHEMBL12658538 | 0.65 | — | — | |
| SCHEMBL8179906 | 0.65 | — | — | |
| SCHEMBL5138301 | 0.65 | CYP1A2 (0.43) | ALDH1A1 | |
| SCHEMBL6881191 | 0.64 | CES2 (0.31) | CES2CES1 | |
| SCHEMBL7955527 | 0.63 | CES1 (0.43) | CES2CES1ALDH1A1TP53 | |
| SCHEMBL743494 | 0.63 | — | — |
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-1212328-B1 | COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING CELLULAR DAMAGE, SUCH AS NEURAL OR CARDIOVASCULAR TISSUE DAMAGE | GUILFORD PHARM INC (US) | 2006-08-02 | — | — | EP | disclosed |
| US-6372750-B2 | COMPOUNDS SUCH AS 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL)ETHOXY)PHENYL METHYL)THIZOLIDINE-2,4-DIONE MADE BY CYCLIZATION, CHEMICAL REDUCTION, HYDROLYSIS, AZOLIDINEDIONE DERIVATIVES | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2002-04-16 | — | — | US | disclosed |