Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 13/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4807933 | 0.78 | GRM5 (0.96) | GRM5CYP1A2KCNH2 | |
| SCHEMBL31673207 | 0.72 | GRM5 (0.62) | GRM5CYP1A2HCRTR1HCRTR2KCNH2 | |
| SCHEMBL29168747 | 0.71 | GRM5 (0.56) | GRM5CYP1A2HCRTR1HCRTR2KCNH2 | |
| SCHEMBL29168756 | 0.70 | GRM5 (0.51) | GRM5CYP1A2HCRTR1HCRTR2KDM4E | |
| SCHEMBL30778399 | 0.70 | GRM5 (0.51) | GRM5CYP1A2HCRTR1HCRTR2 | |
| Methyl Alcohol SCHEMBL28902013 | 0.69 | GRM5 (0.67) | GRM5CYP1A2KCNH2ALDH1A1MAPT | |
| SCHEMBL352291 | 0.69 | GRM5 (0.65) | GRM5CYP1A2KCNH2 | |
| SCHEMBL5234487 | 0.68 | GRM5 (0.53) | GRM5CYP1A2KCNH2ALDH1A1MAPT | |
| SCHEMBL17223631 | 0.67 | GRM5 (0.51) | GRM5CYP1A2KCNH2ALDH1A1MAPT | |
| SCHEMBL4856019 | 0.67 | GRM5 (0.57) | GRM5CYP1A2 |
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-7462619-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | 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 (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-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | GRM5 52/4885CYP1A2 76/4885HCRTR1 84/4885 |
“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.