Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4862447 | 0.82 | CYP2A6 (0.46) | GRM5CYP2A6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL1477031 | 0.80 | GRM5 (0.50) | PTGDR2GRM5CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL30669242 | 0.80 | GRM5 (0.50) | PTGDR2GRM5CYP2A6CYP2E1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1478818 | 0.79 | CYP2A6 (0.50) | PTGDR2GRM5CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL13989129 | 0.76 | CYP2A6 (0.56) | NPY5RKCNA5GRIN1GRIN2BCYP2A6 | |
| SCHEMBL551225 | 0.75 | CYP2A6 (0.62) | NPY5RKCNA5GRM5CYP2A6ABL1 | |
| SCHEMBL4311440 | 0.72 | GRM5 (0.51) | GRM5CYP2A6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL4863970 | 0.72 | CYP2A6 (0.49) | GRM5CYP2A6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL12373173 | 0.72 | NPY5R (0.58) | NPY5RKCNA5GRM5CYP2A6ABL1 | |
| SCHEMBL3796332 | 0.71 | CYP2A6 (0.67) | GRM5CYP2A6CYP2E1CYP3A4CYP2D6 |
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 | NPY5R 32/4885PTGDR2 183/4885KCNA5 391/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | NPY5R 33/4885PTGDR2 406/4885KCNA5 208/4885 |
“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.