Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.44 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2642926 | 0.90 | ALDH1A1 (0.50) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL2645532 | 0.84 | NPSR1 (0.45) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL983425 | 0.83 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL30953612 | 0.81 | NPSR1 (0.45) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL477612 | 0.80 | CYP2C19 (0.59) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL477642 | 0.79 | CYP2C19 (0.58) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL5277497 | 0.79 | ESR1 (0.50) | CYP1A2CYP2C19CYP2C9ALDH1A1MRGPRX4 | |
| SCHEMBL19782877 | 0.77 | L3MBTL1 (0.56) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL16958277 | 0.77 | CYP2C19 (0.58) | CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1 | |
| SCHEMBL11339085 | 0.76 | HCRTR1 (0.58) | L3MBTL1ALDH1A1GAAMEN1KMT2A |
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-1940799-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007047676-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |
| US-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PARMEE EMMA R | 2007-04-19 | — | — | 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-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | CYP1A2 84/4885CYP2C19 228/4885CYP2C9 337/4885 |
“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.