Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.45 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PAM | P19021 | 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 | |
|---|---|---|---|---|
| SCHEMBL27498781 | 1.00 | CES2 (0.45) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL18126502 | 0.96 | ALDH1A1 (0.44) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL18126367 | 0.96 | ALDH1A1 (0.44) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9097583 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9095001 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9094766 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL4621658 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9095203 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9097097 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 | |
| SCHEMBL9097723 | 0.94 | CES2 (0.46) | CES2CES1DGKAFAAHALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030162671-A1 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | SOLUTIA INC. | 2003-08-28 | — | — | US | claimed |
| JP-2001507724-A | — | — | 2001-06-12 | — | — | JP | claimed |
| EP-0979266-A2 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | Solutia Inc. (US) | 2000-02-16 | — | — | EP | claimed |
| WO-1998008919-A9 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | — | 1998-05-28 | — | — | WO | claimed |
| WO-1998008919-A2 | NOVEL WATER SOLUBLE METAL WORKING FLUIDS | SOLUTIA INC. (US) | 1998-03-05 | — | — | WO | claimed |