Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2665899 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL28603188 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL2649434 | 0.79 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL31097867 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP1A2MAPTKDM4E | |
| SCHEMBL2652533 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2MAPT | |
| SCHEMBL21578105 | 0.77 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2MAPT | |
| SCHEMBL2649690 | 0.76 | ERN1 (0.43) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL4147013 | 0.75 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP3A4CYP1A2MAPT | |
| SCHEMBL20740877 | 0.75 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 | |
| SCHEMBL12999315 | 0.74 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP3A4CYP1A2CHRNB2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1294133-C | Imidazo-pyrimidine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME (GB) | 2007-01-10 | — | — | CN | disclosed |
| US-7005431-B2 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2006-02-28 | — | — | US | disclosed |
| US-6960598-B2 | (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | MERCK SHARP & DOHME LTD. | 2005-11-01 | — | — | US | disclosed |
| US-20050165023-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2005-07-28 | — | — | US | disclosed |
| EP-1381606-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2005-07-20 | — | — | EP | disclosed |
| US-6900215-B2 | For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders | MERCK SHARP & DOHME LTD. (GB) | 2005-05-31 | — | — | US | disclosed |
| EP-1504007-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-02-09 | — | — | EP | disclosed |
| US-20040171633-A1 | (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | MERCK SHARP & DOHME LTD. (GB) | 2004-09-02 | — | — | US | disclosed |
| CN-1498218-A | Imidazo-pyrimidine derivatives as GABA receptor ligands | Ĭ�ˡ�����-��ķ��˾ | 2004-05-19 | — | — | CN | disclosed |
| EP-1381606-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-21 | — | — | EP | disclosed |
| WO-2003093272-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-11-13 | — | — | WO | disclosed |
| WO-2003006464-A1 | (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES | MERCK SHARP & DOHME LIMITED (GB) | 2003-01-23 | — | — | WO | disclosed |
| US-20020193385-A1 | Imidazo-pyrimidine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2002-12-19 | — | — | US | disclosed |
| WO-2002074772-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | 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 (3 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-20020193385-A1 | Imidazo-pyrimidine derivatives as ligands for gaba receptors | GABRA3, GABRA1, GABRA2 | CYP2A6 552/4885ALDH1A1 404/4885CYP3A4 244/4885 |
| US-20050165023-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | GABRA5, GABRA3, GABRA2 | CYP2A6 1011/4885ALDH1A1 803/4885CYP3A4 297/4885 |
| US-20040171633-A1 | (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | GABRA1, GABRA4, GABRA6 | CYP2A6 445/4885ALDH1A1 365/4885CYP3A4 307/4885 |
“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.