Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | VHL | P40337 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792405 | 0.93 | CYP2A6 (0.49) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL5792876 | 0.92 | CYP2A6 (0.48) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2732909 | 0.82 | CYP2A6 (0.50) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2898239 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL2899672 | 0.78 | CYP2A6 (0.49) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6175240 | 0.78 | GRM5 (0.45) | TSHRCYP19A1GRM5PIM1ALDH1A1 | |
| SCHEMBL15293891 | 0.77 | HSP90AA1 (0.52) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL5792550 | 0.77 | NPC1 (0.60) | HSD17B10GRM5NOX4NOX1ALDH1A1 | |
| SCHEMBL27699188 | 0.75 | NPC1 (0.50) | GRM5ALDH1A1NPC1RAB9A | |
| SCHEMBL27699427 | 0.75 | CYP2A6 (0.59) | CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458385-A4 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-12-21 | — | — | EP | claimed |
| US-20040259917-A1 | Heteroaryl substituted imidazole modulators of metabotropic glutamate receptor-5 | COSFORD NICHOLAS D P (US) | 2004-12-23 | — | — | US | claimed |
| EP-1458385-A2 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | claimed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | claimed |
| WO-2003053922-A2 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-07-03 | — | — | WO | claimed |
| EP-1458385-A4 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-12-21 | — | — | EP | disclosed |
| US-20040259917-A1 | Heteroaryl substituted imidazole modulators of metabotropic glutamate receptor-5 | COSFORD NICHOLAS D P (US) | 2004-12-23 | — | — | US | disclosed |
| EP-1458385-A2 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | disclosed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | disclosed |
| WO-2003053922-A2 | HETEROARYL SUBSTITUTED IMIDAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-07-03 | — | — | 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-20040259917-A1 | Heteroaryl substituted imidazole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2C | CYP2A6 2682/4885CYP2C19 1182/4885CYP2E1 2453/4885 |
“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.