Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 8/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8509791 | 0.87 | ROCK2 (0.44) | HDAC1ROCK2NR1H2TBK1KIT | |
| SCHEMBL31070549 | 0.77 | ABHD6 (0.51) | HDAC1ROCK2ESR2NR1H2DDB1 | |
| SCHEMBL2056300 | 0.77 | ESR2 (0.58) | HDAC1ROCK2ESR2GPR119NR1H2 | |
| SCHEMBL31070640 | 0.75 | ESR2 (0.51) | HDAC1ROCK2ESR2GPR119NR1H2 | |
| SCHEMBL3872506 | 0.74 | ROCK2 (0.52) | HDAC1ROCK2ESR2NR1H2DDB1 | |
| SCHEMBL6919883 | 0.74 | TBK1 (0.53) | GPR119TBK1PIK3CA | |
| SCHEMBL20775936 | 0.73 | NR1H2 (0.52) | ESR2NR1H2KITPIK3CA | |
| SCHEMBL30288393 | 0.73 | NR1H2 (0.52) | ESR2NR1H2KITPIK3CA | |
| SCHEMBL30401624 | 0.73 | NR1H2 (0.52) | ESR2NR1H2KITPIK3CA | |
| SCHEMBL22638749 | 0.73 | ROCK2 (0.52) | HDAC1ROCK2ESR2GPR119NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2462123-B1 | 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | 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-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | F9, F8, F12 | HDAC1 1138/4885ROCK2 4114/4885ESR2 4174/4885 |
“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.