Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 3/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | CCR8 | P51685 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2462770 | 0.86 | CYP2A6 (0.67) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Hydrochloric Acid SCHEMBL6004892 | 0.84 | CYP2A6 (0.64) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL10031169 | 0.82 | CYP2A6 (0.62) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL6067871 | 0.80 | KDM4E (0.54) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL10031172 | 0.79 | CYP2A6 (0.58) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL12925634 | 0.79 | CYP2A6 (0.58) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL4187922 | 0.79 | PKM (0.67) | KDM4ELMNAGRM5NPC1RAB9A | |
| SCHEMBL12068485 | 0.79 | CYP2A6 (0.62) | CYP2A6KDM4ELMNACCR1CCR5 | |
| Hydrochloric Acid SCHEMBL6068087 | 0.79 | KDM4E (0.52) | CYP2A6KDM4ELMNACCR1CCR5 | |
| SCHEMBL2121006 | 0.78 | CYP2A6 (0.56) | CYP2A6KDM4ELMNACCR1CCR5 |
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-20070060618-A1 | Alkyne derivatives as tracers for metabotropic glutamate receptor binding | MERCK & CO., INC. (US) | 2007-03-15 | — | — | US | disclosed |
| WO-2004038374-A2 | ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING | MERCK & CO., INC. (US) | 2004-05-06 | — | — | 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 (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-20070060618-A1 | Alkyne derivatives as tracers for metabotropic glutamate receptor binding | GRM5, GRM3, GRIK5 | CYP2A6 1998/4885KDM4E 1767/4885LMNA 4609/4885 |
“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.