Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15870993 | 0.74 | GRM5 (0.68) | GRM5PDE10AACACBHAO1PTGES | |
| SCHEMBL4854409 | 0.73 | GRM5 (0.69) | GRM5CYP2A6 | |
| SCHEMBL13731781 | 0.69 | CYP2A6 (0.50) | GRM5CYP2A6 | |
| SCHEMBL1477711 | 0.68 | GRM5 (0.55) | GRM5 | |
| SCHEMBL6311975 | 0.68 | GRM5 (1.00) | GRM5PDE10AACACBHAO1 | |
| SCHEMBL8488909 | 0.67 | GRM5 (0.38) | GRM5 | |
| SCHEMBL1477251 | 0.66 | CHRNB2 (0.45) | GRM5 | |
| SCHEMBL3386179 | 0.66 | CYP2A6 (0.53) | CYP2A6 | |
| SCHEMBL6313587 | 0.66 | GRM5 (0.68) | GRM5PDE10AACACBHAO1 | |
| SCHEMBL30278513 | 0.66 | GRM5 (0.68) | GRM5PDE10AACACBHAO1 |
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 9 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-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-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | COSFORD NICHOLAS D (US) | 2005-04-21 | — | — | US | disclosed |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | US | disclosed |
| US-6774138-B2 | TO FUNCTION AS AGONISTS OR ANTAGONISTS OF RECEPTORS FOR NEUROTRANSMITTERS, NEUROHORMONES AND NEUROMODULATORS, AS INSECTICIDES AND FINGICIDES | MERCK & CO., INC. | 2004-08-10 | — | — | US | disclosed |
| US-20030055247-A1 | Thiazolyl(pyridyl)ethyne compounds | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | disclosed |
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | 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 (4 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-20030055247-A1 | Thiazolyl(pyridyl)ethyne compounds | CBR3, CBR1, CHRM3 | GRM5 54/4885PDE10A 1098/4885CYP2A6 103/4885 |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | GRM5 45/4885PDE10A 1125/4885CYP2A6 144/4885 |
| US-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | CBR3, CBR1, CHRM3 | GRM5 67/4885PDE10A 941/4885CYP2A6 157/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | GRM5 52/4885PDE10A 715/4885CYP2A6 169/4885 |
“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.