Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4861899 | 0.75 | GRM5 (0.47) | POLBEPHX2GRM5MEN1KMT2A | |
| SCHEMBL9794338 | 0.71 | LMNA (0.47) | GRM5MEN1KMT2ATSHRHTT | |
| SCHEMBL15870993 | 0.70 | GRM5 (0.68) | GRM5TSHRHSD17B10ALDH1A1 | |
| SCHEMBL737153 | 0.70 | — | — | |
| SCHEMBL9906389 | 0.70 | — | — | |
| SCHEMBL9794433 | 0.70 | — | — | |
| SCHEMBL9794474 | 0.69 | LMNA (0.49) | GRM5MEN1KMT2ATSHRLMNA | |
| SCHEMBL7420330 | 0.69 | GRM5 (0.42) | POLBEPHX2GRM5MEN1KMT2A | |
| SCHEMBL7385448 | 0.68 | GRM5 (0.47) | EPHX2GRM5NPC1MEN1KMT2A | |
| SCHEMBL4860801 | 0.67 | GRM5 (0.46) | GRM5L3MBTL1TSHRSMN1; SMN2HSD17B10 |
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 | POLB 4874/4885EPHX2 411/4885GRM5 54/4885 |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | POLB 4793/4885EPHX2 211/4885GRM5 45/4885 |
| US-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | CBR3, CBR1, CHRM3 | POLB 4879/4885EPHX2 440/4885GRM5 67/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | POLB 4594/4885EPHX2 315/4885GRM5 52/4885 |
“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.