Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3796332 | 0.78 | CYP2A6 (0.67) | GRM5CYP2D6CYP1A2CYP2A6CHRNB2 | |
| SCHEMBL31673229 | 0.77 | GRM5 (0.58) | GRM5CYP2D6CYP1A2CYP2A6KCNH2 | |
| SCHEMBL4712602 | 0.77 | GRM5 (1.00) | GRM5CYP2D6CYP1A2KCNH2CYP2C9 | |
| SCHEMBL31673355 | 0.77 | GRM5 (0.58) | GRM5CYP2D6CYP1A2CYP2A6KCNH2 | |
| SCHEMBL31673255 | 0.77 | GRM5 (1.00) | GRM5CYP2D6CYP1A2KCNH2CYP2C9 | |
| SCHEMBL13907278 | 0.73 | CYP2A6 (0.62) | GRM5CYP2D6CYP1A2CYP2A6CHRNB2 | |
| SCHEMBL25296136 | 0.73 | GRM5 (0.43) | GRM5CYP2D6CYP1A2CYP2A6KCNH2 | |
| SCHEMBL25296135 | 0.73 | GRM5 (0.43) | GRM5CYP2D6CYP1A2CYP2A6KCNH2 | |
| SCHEMBL26233657 | 0.73 | GRM5 (0.43) | GRM5CYP2D6CYP1A2CYP2A6KCNH2 | |
| SCHEMBL3837529 | 0.73 | GRM5 (0.62) | GRM5CYP2D6CYP1A2CYP2A6CHRNB2 |
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 45/4885CYP2D6 151/4885CYP1A2 71/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | GRM5 52/4885CYP2D6 125/4885CYP1A2 76/4885 |
“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.