Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.70 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5548306 | 0.85 | NPC1 (0.59) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL1689254 | 0.84 | HDAC1 (0.76) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL2108918 | 0.83 | HDAC1 (1.00) | HDAC1HDAC2HDAC3KMT2A | |
| SCHEMBL2108450 | 0.82 | HDAC1 (0.73) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL2107871 | 0.82 | HDAC1 (0.73) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL1754325 | 0.82 | HDAC1 (1.00) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL5028824 | 0.82 | HDAC1 (0.56) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL2108272 | 0.81 | HDAC1 (0.78) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1689251 | 0.80 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL2109516 | 0.80 | HDAC1 (0.68) | HDAC1HDAC2HDAC3MAPK1NCOR2 |
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 6/4885HDAC2 42/4885HDAC3 17/4885 |
“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.