Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20765144 | 1.00 | CYP3A4 (0.41) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL29889267 | 0.92 | CYP3A4 (0.42) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL20765204 | 0.92 | CYP3A4 (0.42) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL20764988 | 0.87 | TTK (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL29889351 | 0.87 | TTK (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL20765033 | 0.87 | ADORA2A (0.45) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL29889382 | 0.87 | ADORA2A (0.45) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL20765605 | 0.84 | HDAC1 (0.40) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL22158161 | 0.84 | TSHR (0.41) | TSHRCYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL29889308 | 0.84 | HDAC1 (0.40) | CYP3A4TSHRCYP1A2ALDH1A1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220306588-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-09-29 | — | — | US | disclosed |
| US-11453647-B2 | Benzimidazole derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2022-09-27 | — | — | 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 (2 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-20220306588-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | ADORA1, ADORA2A, ADORA3 | CYP3A4 1714/4885TSHR 914/4885CYP1A2 1120/4885 |
| US-11453647-B2 | Benzimidazole derivatives as adenosine receptor antagonists | ADORA1, ADORA2A, ADORA3 | CYP3A4 1720/4885TSHR 890/4885CYP1A2 1108/4885 |
“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.