Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5078491 | 0.78 | GRM5 (0.60) | CYP2A6KDRCOMTGRM5ABL1 | |
| SCHEMBL5107105 | 0.77 | GRM5 (0.62) | PDPK1GRM5CYP2C19CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5107032 | 0.76 | GRM5 (0.61) | PDPK1GRM5CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL29381812 | 0.75 | CYP2A6 (1.00) | CYP2A6PDPK1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL252650 | 0.75 | CYP2A6 (1.00) | CYP2A6PDPK1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL23331514 | 0.73 | CYP3A4 (0.67) | CYP2A6ABL1PDGFRBBCRSRC | |
| SCHEMBL12410547 | 0.69 | CYP2A6 (0.58) | CYP2A6PDPK1CYP2E1 | |
| SCHEMBL1772043 | 0.67 | CYP2A6 (0.70) | CYP2A6PDPK1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16159287 | 0.67 | PDPK1 (0.67) | CYP2A6KDRPDPK1 | |
| SCHEMBL15805858 | 0.67 | PDPK1 (0.72) | CYP2A6KDRPDPK1HCRTR1HCRTR2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7393959-B2 | Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO. INC. (US) | 2008-07-01 | — | — | US | claimed |
| EP-1613265-A4 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | claimed |
| US-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2006-08-31 | — | — | US | claimed |
| CN-1794990-A | Diaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-06-28 | — | — | CN | claimed |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | claimed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | claimed |
| US-7393959-B2 | Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO. INC. (US) | 2008-07-01 | — | — | US | disclosed |
| EP-1613265-A4 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| US-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2006-08-31 | — | — | US | disclosed |
| CN-1794990-A | Diaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-06-28 | — | — | CN | disclosed |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | 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-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2B | CYP2A6 1537/4885KDR 4021/4885PDPK1 922/4885 |
“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.