Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.42 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | F2R | P25116 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1753692 | 0.82 | ALDH1A1 (0.43) | ALDH1A1GAAHDAC1TP53KMT2A | |
| SCHEMBL2107693 | 0.79 | HDAC1 (0.70) | HDAC1KMT2AMEN1LMNANPC1 | |
| SCHEMBL28479693 | 0.76 | KDM4E (0.53) | ALDH1A1GAAKMT2ALMNAMAPT | |
| SCHEMBL13182869 | 0.74 | ALDH1A1 (0.47) | ALDH1A1GAATP53KMT2ASMN1; SMN2 | |
| SCHEMBL14853314 | 0.73 | HDAC1 (0.61) | ALDH1A1HDAC1TP53KMT2AMEN1 | |
| SCHEMBL31541719 | 0.73 | THRB (0.47) | ALDH1A1GAALMNAMAPTHIF1A | |
| SCHEMBL20576855 | 0.73 | KDM4E (0.42) | ALDH1A1GAAKMT2ALMNAMAPT | |
| SCHEMBL28569366 | 0.72 | ALDH1A1 (0.37) | ALDH1A1GAAKMT2ALMNAMAPT | |
| SCHEMBL29775267 | 0.72 | ALDH1A1 (0.46) | ALDH1A1GAAKMT2ASMN1; SMN2MAPT | |
| SCHEMBL1754056 | 0.72 | ALDH1A1 (0.46) | ALDH1A1GAAKMT2ASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | 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-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | ALDH1A1 784/4885GAA 713/4885HDAC1 6/4885 |
“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.