Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.62 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1754072 | 0.84 | HDAC1 (0.60) | HDAC1AURKATP53HDAC2ADORA3 | |
| SCHEMBL2441079 | 0.82 | HDAC1 (0.47) | HDAC1HDAC2ADORA3HDAC3MAPT | |
| SCHEMBL13950308 | 0.82 | HDAC1 (0.47) | HDAC1AURKATP53HDAC2ADORA3 | |
| SCHEMBL1689347 | 0.82 | HDAC1 (0.55) | HDAC1AURKATP53HDAC2ADORA3 | |
| SCHEMBL1689364 | 0.82 | HDAC1 (0.40) | HDAC1HDAC2ADORA3MEN1KMT2A | |
| SCHEMBL13985027 | 0.80 | ADORA3 (0.51) | HDAC1HDAC2ADORA3SMN1; SMN2MAPT | |
| SCHEMBL4453120 | 0.80 | HDAC1 (0.52) | HDAC1HDAC2ADORA3MEN1KMT2A | |
| SCHEMBL2436869 | 0.79 | CACNA1B (0.55) | HDAC1HDAC2ADORA3MEN1KMT2A | |
| SCHEMBL2436301 | 0.79 | HDAC1 (0.48) | HDAC1HDAC2ADORA3HDAC3MAPT | |
| SCHEMBL5135484 | 0.78 | ADORA3 (0.49) | HDAC1HDAC2ADORA3SMN1; 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 6 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 | claimed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | claimed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | claimed |
| 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 |
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 | HDAC1 6/4885AURKA 3431/4885TP53 1553/4885 |
“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.