Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 7/20 | 0.43 |
| ▸ | CA2 | P00918 | 7/20 | 0.43 |
| ▸ | CA1 | P00915 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL5004844 | 0.96 | ALDH1A1 (0.49) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| SCHEMBL28161510 | 0.93 | ALDH1A1 (0.47) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| SCHEMBL658053 | 0.93 | LMNA (0.54) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL76327 | 0.91 | LMNA (0.53) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Benzene SCHEMBL28330086 | 0.91 | LMNA (0.53) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Sulfur Dioxide SCHEMBL28176580 | 0.87 | LMNA (0.50) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL8015558 | 0.84 | MEN1 (0.48) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Nitric Acid SCHEMBL27965091 | 0.83 | ALDH1A1 (0.47) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| Cadaverine Tartrate SCHEMBL28296884 | 0.83 | MAPT (0.47) | ALDH1A1RAB9ALMNAMAPTMEN1 | |
| SCHEMBL11743349 | 0.83 | POLB (0.47) | ALDH1A1RAB9ALMNAMAPTMEN1 |
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-2614066-B1 | PROCESS FOR THE PRODUCTION OF CEPHALOSPORINS | DSM SINOCHEM PHARM NL BV (NL) | 2017-11-29 | — | — | EP | disclosed |
| EP-2367940-B1 | Mutant penicillin G acylases | DSM SINOCHEM PHARM NL BV (NL) | 2017-11-22 | — | — | EP | disclosed |
| CN-106957236-A | A kind of preparation method of Phenylglycine methyl ester methyl-hydrogen-sulfate monomethyl-sulfate salt | 浙江昂利康制药股份有限公司 | 2017-07-18 | — | — | CN | disclosed |
| CN-103571907-B | A kind of separation of enzymatic clarification cefaclor and purification process | CHINA UNION CHEMPHARMA (SUZHOU) CO., LTD. (CN) | 2016-01-13 | — | — | CN | disclosed |
| EP-1931619-B1 | METHANESULPHONIC ACID SALT OF DIHYDROPHENYLGLYCINE METHYL ESTER OR OF PHENYLGLYCINE METHYL ESTER | DSM SINOCHEM PHARM NL BV (NL) | 2015-06-24 | — | — | EP | disclosed |
| CN-104628586-A | PROCESS FOR ESTERIFICATION OF AN ORGANIC ACID | DSM IP ASSETS BV | 2015-05-20 | — | — | CN | disclosed |
| CN-103571907-A | Separation and purification method for cefaclor by enzymatic synthesis | CHINA UNION CHEMPHARMA SUZHOU CO LTD | 2014-02-12 | — | — | CN | disclosed |
| US-8541199-B2 | Mutant penicillin G acylases | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2013-09-24 | — | — | US | disclosed |
| EP-2614066-A1 | PROCESS FOR THE PRODUCTION OF CEPHALOSPORINS | DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) | 2013-07-17 | — | — | EP | disclosed |
| CN-103108879-A | Process for the production of cephalosporins | DSM SINOCHEM PHARM NL BV | 2013-05-15 | — | — | CN | disclosed |
| WO-2012032040-A1 | PROCESS FOR THE PRODUCTION OF CEPHALOSPORINS | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2012-03-15 | — | — | WO | disclosed |
| US-20110256585-A1 | MUTANT PENICILLIN G ACYLASES | DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) | 2011-10-20 | — | — | US | disclosed |
| EP-2367940-A2 | MUTANT PENICILLIN G ACYLASES | DSM IP Assets B.V. (NL) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010072765-A2 | MUTANT PENICILLIN G ACYLASES | DSM IP ASSETS B.V. (NL) | 2010-07-01 | — | — | WO | disclosed |
| US-20080249329-A1 | Process For Esterification Of An Organic Acid | DSM IP ASSETS B.V. (NL) | 2008-10-09 | — | — | US | disclosed |
| CN-101277927-A | Process for esterifying organic acids | DSM IP ASSETS BV (NL) | 2008-10-01 | — | — | CN | disclosed |
| EP-1931619-A2 | PROCESS FOR ESTERIFICATION OF AN ORGANIC ACID | DSMIP Assets B.V. (NL) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039522-A2 | PROCESS FOR ESTERIFICATION OF AN ORGANIC ACID | DSM IP ASSETS B.V. (NL) | 2007-04-12 | — | — | WO | disclosed |