Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 10/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7425347 | 0.75 | GRM5 (1.00) | GRM5CYP1A2 | |
| SCHEMBL3348980 | 0.75 | GRM5 (0.56) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7421591 | 0.74 | GRM5 (0.46) | GRM5CYP1A2CYP11B2 | |
| Hydrochloric Acid SCHEMBL7419836 | 0.74 | GRM5 (0.97) | GRM5CYP1A2 | |
| SCHEMBL3346505 | 0.74 | GRM5 (0.55) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1690481 | 0.74 | CYP11B2 (0.68) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL402092 | 0.73 | GRM5 (0.50) | GRM5ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30586096 | 0.72 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL30586094 | 0.72 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL21808801 | 0.72 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462619-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7462619-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7365074-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-7365074-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | 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-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | GRM5 45/4885CYP2A6 144/4885ALDH1A1 1382/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | GRM5 52/4885CYP2A6 169/4885ALDH1A1 2167/4885 |
“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.