Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.42 |
| ▸ | FEN1 | P39748 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.41 |
| ▸ | TYK2 | P29597 | 2/20 | 0.41 |
| ▸ | JAK3 | P52333 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907275 | 0.94 | CYP2A13 (0.44) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL7262216 | 0.89 | HTR2C (0.40) | JAK2JAK1TYK2JAK3MCHR1 | |
| SCHEMBL5907238 | 0.86 | CYP2A13 (0.50) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL5907245 | 0.85 | CYP2A13 (0.44) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL5907378 | 0.84 | ALDH1A1 (0.42) | ADORA2AADORA1ALDH1A1L3MBTL1DRD2 | |
| SCHEMBL5907286 | 0.84 | CYP2A13 (0.44) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL5730793 | 0.83 | CYP2A13 (0.45) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL5907335 | 0.83 | CYP2A13 (0.47) | CYP2A13ALOX5APFEN1ADORA2AADORA1 | |
| SCHEMBL5907291 | 0.83 | MAP4K1 (0.41) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL5907388 | 0.83 | SSTR5 (0.37) | ALOX5APFEN1ALDH1A1L3MBTL1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060264419-A1 | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | US | disclosed |
| CN-1768051-A | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-05-03 | — | — | CN | disclosed |
| EP-1626967-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GmbH (DE) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004089931-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |
| WO-2003031435-A1 | PYRAZOLE DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS | MERCK PATENT GMBH (DE) | 2003-04-17 | — | — | 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-20060264419-A1 | Substituted pyrazoles | HTR3A, HTR1A, HTR1D | CYP2A13 659/4885ALOX5AP 2479/4885FEN1 3672/4885 |
“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.