Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27623048 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL22972798 | 0.89 | ALDH1A1 (0.58) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL503583 | 0.89 | ALDH1A1 (0.58) | ALDH1A1GRM4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL3813837 | 0.88 | ALDH1A1 (0.60) | ALDH1A1GRM4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL2787874 | 0.88 | ALDH1A1 (0.60) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL8033734 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MAPTNPSR1LMNAHTT | |
| SCHEMBL9450673 | 0.79 | GRM4 (0.50) | ALDH1A1GRM4MAPTNPSR1THRB | |
| Hydrochloric Acid SCHEMBL8033729 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MAPTNPSR1LMNAHTT | |
| SCHEMBL6935540 | 0.79 | ALDH1A1 (0.73) | ALDH1A1GRM4CA12CA1CA2 | |
| SCHEMBL22557986 | 0.79 | ALDH1A1 (0.73) | ALDH1A1GRM4CA12CA1CA2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4709740-B2 | — | — | 2011-06-22 | — | — | JP | claimed |
| EP-1594853-B1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GMBH (DE) | 2008-07-09 | — | — | EP | claimed |
| US-7371854-B2 | Method for the production of bicyclic aromatic amino acids and intermediate products thereof | MERCK PATENT GMBH (DE) | 2008-05-13 | — | — | US | claimed |
| JP-2006517545-A | — | — | 2006-07-27 | — | — | JP | claimed |
| US-20060142568-A1 | Method for the production of bicyclic aromatic amino acids and intermediate products thereof | MEREK PATENT GMBH (DE) | 2006-06-29 | — | — | US | claimed |
| CN-1751034-A | Process for the preparation of bicyclic aromatic amino acids and intermediates therefor | MERCK PATENT GMBH (DE) | 2006-03-22 | — | — | CN | claimed |
| EP-1594853-A1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GmbH (DE) | 2005-11-16 | — | — | EP | claimed |
| WO-2004072054-A1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GMBH (DE) | 2004-08-26 | — | — | WO | claimed |
| EP-1594853-B1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GMBH (DE) | 2008-07-09 | — | — | EP | disclosed |
| US-7371854-B2 | Method for the production of bicyclic aromatic amino acids and intermediate products thereof | MERCK PATENT GMBH (DE) | 2008-05-13 | — | — | US | disclosed |
| US-20060142568-A1 | Method for the production of bicyclic aromatic amino acids and intermediate products thereof | MEREK PATENT GMBH (DE) | 2006-06-29 | — | — | US | disclosed |
| CN-1751034-A | Process for the preparation of bicyclic aromatic amino acids and intermediates therefor | MERCK PATENT GMBH (DE) | 2006-03-22 | — | — | CN | disclosed |
| EP-1594853-A1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GmbH (DE) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004072054-A1 | METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF | MERCK PATENT GMBH (DE) | 2004-08-26 | — | — | 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 (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-20060142568-A1 | Method for the production of bicyclic aromatic amino acids and intermediate products thereof | ITGA1, ITGB1, ITGA2 | ALDH1A1 695/4885GRM4 2826/4885CA12 3391/4885 |
“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.