Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.58 |
| ▸ | CES1 | P23141 | 4/20 | 0.58 |
| ▸ | FAAH | O00519 | 2/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.45 |
| ▸ | PPARG | P37231 | 6/20 | 0.45 |
| ▸ | PPARD | Q03181 | 6/20 | 0.45 |
| ▸ | PPARA | Q07869 | 6/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | FABP4 | P15090 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28191479 | 1.00 | CES2 (0.58) | CES2CES1FAAHGPR84PPARG | |
| SCHEMBL28241366 | 1.00 | CES2 (0.58) | CES2CES1FAAHGPR84PPARG | |
| SCHEMBL9431005 | 0.98 | CES2 (0.56) | CES2CES1FAAHGPR84PPARG | |
| SCHEMBL1088812 | 0.92 | CES1 (0.54) | CES2CES1FAAHALDH1A1 | |
| SCHEMBL28098708 | 0.89 | CES2 (0.54) | CES2CES1FAAHGPR84PPARG | |
| SCHEMBL27734343 | 0.89 | CES2 (0.54) | CES2CES1FAAHGPR84PPARG | |
| SCHEMBL28694822 | 0.85 | HDAC6 (0.36) | CES2CES1FAAHTSHRTDP1 | |
| SCHEMBL9190642 | 0.83 | CES2 (0.50) | CES2CES1FAAHTSHRALDH1A1 | |
| SCHEMBL28305248 | 0.82 | HDAC1 (0.38) | CES2CES1FAAHTDP1 | |
| SCHEMBL9005847 | 0.81 | CES2 (0.46) | CES2CES1FAAHTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153839-B2 | Method for synthesis of keto acids or amino acids by hydration of acetylene compound | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20090216044-A1 | METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2009-08-27 | — | — | US | disclosed |
| EP-1932824-A1 | METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND | Japan Science and Technology Agency (JP) | 2008-06-18 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090216044-A1 | METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND | AADAT, BCAT2, BCAT1 | CES2 3246/4885CES1 1695/4885FAAH 1966/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.