Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742677 | 1.00 | CES2 (0.48) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL11491554 | 0.81 | ALDH1A1 (0.50) | CES2CES1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL7836762 | 0.81 | CES2 (0.50) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL7836764 | 0.81 | CES2 (0.50) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL30443235 | 0.81 | CES2 (0.62) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL11032602 | 0.81 | HSD17B1 (0.48) | CES2CA1CA2SMN1; SMN2ALDH1A1 | |
| SCHEMBL11491555 | 0.81 | ALDH1A1 (0.50) | CES2CES1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL8720671 | 0.79 | HTT (0.50) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL8720674 | 0.79 | HTT (0.50) | CES2CES1CA1CA2CYP1A2 | |
| SCHEMBL6839869 | 0.78 | GAA (0.63) | CES2CES1CA1CA2CYP1A2 |
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-1727541-A1 | IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS | Warner-Lambert Company LLC (US) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005079790-A1 | IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2005-09-01 | — | — | WO | disclosed |