Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | CCR9 | P51686 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL547724 | 0.87 | PTPN1 (0.40) | MEN1ALDH1A1KMT2ALMNACASR | |
| SCHEMBL264003 | 0.83 | CYP2A6 (0.50) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL265825 | 0.81 | HSD11B1 (0.50) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL547580 | 0.80 | PTPN1 (0.43) | CYP2A6MEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL548731 | 0.78 | PTPN1 (0.50) | CYP2A6CASR | |
| SCHEMBL9174482 | 0.78 | ALDH1A1 (0.47) | MEN1ALDH1A1KMT2ACCR9CASR | |
| SCHEMBL155856 | 0.77 | CYP2A6 (0.44) | CYP2A6MEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL13797770 | 0.77 | CYP2A6 (0.56) | CYP2A6KDM4EALDH1A1LMNABACE1 | |
| SCHEMBL12601245 | 0.77 | CYP1A2 (0.48) | ALDH1A1LMNA | |
| SCHEMBL26029174 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4EMEN1ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101291912-A | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO INC (US) | 2008-10-22 | — | — | CN | disclosed |
| 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 | CYP2A6 441/4885KDM4E 4338/4885MEN1 3060/4885 |
“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.