Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28321549 | 0.71 | PDPK1 (0.50) | PDPK1ADRB2LOXL2CYP2A6ADORA2A | |
| SCHEMBL427678 | 0.70 | PDPK1 (0.41) | PDPK1ADRB2LOXL2CYP2A6ADORA3 | |
| SCHEMBL18300454 | 0.69 | CNR1 (0.43) | KDRCNR1HSP90AA1 | |
| SCHEMBL722198 | 0.67 | PDPK1 (0.77) | PDPK1ADRB2LOXL2CYP2A6ADORA2A | |
| SCHEMBL13729254 | 0.66 | ADORA3 (0.47) | PDPK1ADRB2LOXL2CYP2A6ADORA3 | |
| SCHEMBL11994379 | 0.66 | PDPK1 (0.57) | PDPK1ADRB2LOXL2CYP2A6ADORA3 | |
| 2-Phenylthiazole SCHEMBL27882225 | 0.64 | PDPK1 (0.95) | PDPK1ADRB2LOXL2CYP2A6SMPD3 | |
| SCHEMBL28154527 | 0.64 | PDPK1 (0.56) | PDPK1ADRB2LOXL2CYP2A6ADORA3 | |
| SCHEMBL10130841 | 0.64 | LOXL2 (0.61) | PDPK1ADRB2LOXL2CYP2A6ADORA3 | |
| SCHEMBL27694200 | 0.64 | PDPK1 (0.53) | PDPK1ADRB2LOXL2CYP2A6ADORA3 |
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 11 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 | disclosed |
| US-7371767-B2 | Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2008-05-13 | — | — | 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 |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| US-20050085514-A1 | Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2005-04-21 | — | — | US | disclosed |
| EP-1458710-A4 | HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| EP-1458710-A1 | HETEROARYL SUBSTITUTED PYRROLE 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-2003059904-A1 | HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-07-24 | — | — | 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 (2 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-20050085514-A1 | Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2C | PDPK1 1058/4885ADRB2 801/4885LOXL2 3862/4885 |
| US-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2B | PDPK1 922/4885ADRB2 637/4885LOXL2 4023/4885 |
“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.