Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5731736 | 0.92 | CYP2A13 (0.44) | ADORA2AADORA1SLC2A1CYP3A4CD274 | |
| SCHEMBL5732371 | 0.86 | SLC2A1 (0.45) | ADORA2AADORA1SLC2A1CYP3A4CYP2A13 | |
| SCHEMBL5907306 | 0.86 | CYP2A13 (0.45) | ADORA2AADORA1SLC2A1CYP3A4CYP2A13 | |
| SCHEMBL5907265 | 0.85 | NR3C1 (0.44) | USP2CYP3A4CYP1A2CLK4CYP2A13 | |
| SCHEMBL5907238 | 0.85 | CYP2A13 (0.50) | ADORA2AADORA1CYP3A4CYP2A13ALDH1A1 | |
| SCHEMBL5907325 | 0.84 | CYP2A13 (0.45) | ADORA2AADORA1SLC2A1CYP3A4CYP2A13 | |
| SCHEMBL5730793 | 0.84 | CYP2A13 (0.45) | ADORA2AADORA1SLC2A1CYP3A4CYP2A13 | |
| SCHEMBL5907332 | 0.84 | SMO (0.48) | ADORA2AADORA1SLC2A1USP2CYP3A4 | |
| SCHEMBL5907335 | 0.84 | CYP2A13 (0.47) | ADORA2AADORA1CYP2A13ALDH1A1SSTR5 | |
| SCHEMBL5731706 | 0.83 | CYP2A13 (0.46) | ADORA2AADORA1SLC2A1CYP2A13ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060264419-A1 | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | US | 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 |
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 | ADORA2A 170/4885ADORA1 69/4885SLC2A1 1980/4885 |
“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.