Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.61 |
| ▸ | CTSB | P07858 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 8/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | PRNP | P04156 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2658663 | 0.86 | CTSL (0.62) | CTSLCTSBALDH1A1KDM4EHPGD | |
| SCHEMBL9729781 | 0.85 | ALDH1A1 (0.55) | CTSLCTSBALDH1A1KDM4EHPGD | |
| SCHEMBL27685906 | 0.84 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL20944487 | 0.83 | MEN1 (0.60) | ALDH1A1HPGDMAPTLMNAGABRA2 | |
| SCHEMBL27773370 | 0.82 | KDM4E (0.50) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL9319008 | 0.82 | TNF (0.50) | CTSLCTSBALDH1A1KDM4EHPGD | |
| SCHEMBL163381 | 0.81 | SMN1; SMN2 (0.53) | ALDH1A1KDM4ESMN1; SMN2GAAMAPT | |
| SCHEMBL6004248 | 0.81 | GRM2 (0.54) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL3996643 | 0.80 | SHMT2 (0.54) | CTSLCTSBALDH1A1KDM4EHPGD | |
| SCHEMBL16505799 | 0.80 | HPGD (0.53) | CTSLCTSBALDH1A1KDM4EHPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773330-B1 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME (US) | 2010-05-26 | — | — | EP | disclosed |
| US-7625938-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | MERCK & CO., INC. (US) | 2008-05-08 | — | — | US | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| EP-0478964-A1 | Pyrazoloquinoline derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1992-04-08 | — | — | EP | 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-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | GLP1R, GCGR, GPR119 | CTSL 3400/4885CTSB 2174/4885ALDH1A1 3006/4885 |
“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.