Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2650659 | 0.83 | PIK3CD (0.38) | ALDH1A1LMNATP53MAPTSMN1; SMN2 | |
| SCHEMBL29953219 | 0.82 | CYP2A6 (0.52) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL560340 | 0.82 | CYP2A6 (0.52) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL25254476 | 0.80 | ALDH1A1 (0.40) | CYP2A6ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL13545698 | 0.79 | CYP2A6 (0.53) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL2649690 | 0.78 | ERN1 (0.43) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL28997762 | 0.77 | CYP11B1 (0.55) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL8126228 | 0.76 | CYP11B1 (0.49) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL16110614 | 0.76 | CYP17A1 (0.50) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 | |
| SCHEMBL9657307 | 0.76 | TP53 (0.50) | CYP11B1CYP3A4CYP17A1CYP11B2CYP2A6 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532120-B1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2009-01-14 | — | — | EP | disclosed |
| US-7442701-B2 | Amino-heterocycles as VR-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1562934-B1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME (GB) | 2008-03-26 | — | — | EP | disclosed |
| US-20060235021-A1 | Phenylpyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-10-19 | — | — | US | disclosed |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-02-23 | — | — | 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 |
| EP-1562934-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-08-17 | — | — | EP | 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-1532120-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-05-25 | — | — | 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 |
| WO-2004046133-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-06-03 | — | — | WO | disclosed |
| WO-2004014865-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |
| EP-1381606-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-21 | — | — | EP | 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-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |
| WO-2002074772-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 (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-20020193385-A1 | Imidazo-pyrimidine derivatives as ligands for gaba receptors | GABRA3, GABRA1, GABRA2 | CYP11B1 1108/4885CYP3A4 244/4885CYP17A1 2549/4885 |
| US-20060235021-A1 | Phenylpyridazine derivatives as ligands for gaba receptors | GABRA5, GABRA2, GABRA3 | CYP11B1 547/4885CYP3A4 115/4885CYP17A1 1041/4885 |
| US-20040171633-A1 | (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | GABRA1, GABRA4, GABRA6 | CYP11B1 290/4885CYP3A4 307/4885CYP17A1 945/4885 |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | OPRL1, CNR1, GPR6 | CYP11B1 1210/4885CYP3A4 977/4885CYP17A1 1802/4885 |
“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.