Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL809092 | 0.97 | SLC1A1 (0.48) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL809052 | 0.84 | SLC1A1 (0.55) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL809091 | 0.83 | SLC1A1 (0.54) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL5551683 | 0.83 | ALDH1A1 (0.52) | SLC1A1CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL5551687 | 0.83 | SLC1A1 (0.54) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL809237 | 0.83 | SLC1A1 (0.54) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL11025934 | 0.81 | ALDH1A1 (0.55) | SLC1A1CA1CA2CA7CA9 | |
| Potassium Ion SCHEMBL6442452 | 0.81 | SMN1; SMN2 (0.44) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL31532269 | 0.79 | ALDH1A1 (0.47) | SLC1A1CA1CA2CA7CA9 | |
| SCHEMBL31532270 | 0.79 | ALDH1A1 (0.47) | SLC1A1CA1CA2CA7CA9 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1588998-B1 | A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt | BRACCO IMAGING SPA (IT) | 2011-11-30 | — | — | EP | claimed |
| JP-4476486-B2 | — | — | 2010-06-09 | — | — | JP | claimed |
| EP-1588998-A1 | A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt | Bracco Imaging S.p.A. (IT) | 2005-10-26 | — | — | EP | claimed |
| JP-2002520305-A | — | — | 2002-07-09 | — | — | JP | claimed |
| EP-1095009-A2 | A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID | Bracco Imaging S.p.A. (IT) | 2001-05-02 | — | — | EP | claimed |
| US-6162947-A | Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan | DIBRA S.P.A. (IT) | 2000-12-19 | — | — | US | claimed |
| WO-2000002847-A2 | A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID | BRACCO S.P.A. (IT) | 2000-01-20 | — | — | WO | claimed |
| EP-1588998-B1 | A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt | BRACCO IMAGING SPA (IT) | 2011-11-30 | — | — | EP | disclosed |
| EP-1588998-A1 | A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt | Bracco Imaging S.p.A. (IT) | 2005-10-26 | — | — | EP | disclosed |
| EP-1095009-A2 | A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID | Bracco Imaging S.p.A. (IT) | 2001-05-02 | — | — | EP | disclosed |
| US-6162947-A | Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan | DIBRA S.P.A. (IT) | 2000-12-19 | — | — | US | disclosed |
| WO-2000002847-A2 | A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID | BRACCO S.P.A. (IT) | 2000-01-20 | — | — | WO | disclosed |
| US-5403572-A | Macrocyclic polyaza compounds containing 5 or 6 membered rings, process for producing them and pharmaceutical media containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |
| EP-0325762-B1 | Macrocyclic chelating agents and chelates thereof | BRACCO SPA (IT) | 1995-03-22 | — | — | EP | disclosed |
| US-5334371-A | Marcocyclic polyaza bicyclo compounds containing 5 or 6 membered rings, and method for MRI | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |
| US-5132409-A | Derivatives of 1,4,7,10-Tetraazacyclododecane | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1992-07-21 | — | — | US | disclosed |
| EP-0440606-A1 | MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF | BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) | 1991-08-14 | — | — | EP | disclosed |
| EP-0325762-A1 | Macrocyclic chelating agents and chelates thereof | BRACCO S.p.A. (IT) | 1989-08-02 | — | — | EP | disclosed |
| WO-1989005802-A1 | MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1989-06-29 | — | — | WO | disclosed |