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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2026077 | 0.89 | FOLH1 (0.50) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL2026078 | 0.89 | FOLH1 (0.50) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL6446635 | 0.88 | FOLH1 (0.49) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL6446640 | 0.88 | FOLH1 (0.49) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL9115844 | 0.81 | MMP9 (0.43) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL9450975 | 0.80 | FOLH1 (0.54) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL5347315 | 0.80 | FOLH1 (0.54) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL7588488 | 0.77 | FOLH1 (0.59) | FOLH1PPARASLC1A1CTSSMMP9 | |
| SCHEMBL8206652 | 0.77 | CTSS (0.40) | SLC1A1CTSSHTTSMN1; SMN2TLR2 | |
| SCHEMBL8417315 | 0.76 | RAB9A (0.46) | CTSSSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1095009-B1 | 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 SPA (IT) | 2005-06-15 | — | — | 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 |