Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isophthalic Acid. 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 | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.51 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 5/20 | 0.44 |
| ▸ | PPARD | Q03181 | 5/20 | 0.44 |
| ▸ | PPARA | Q07869 | 5/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL3877625 | 0.93 | PLA2G4B (0.48) | LTB4RTSHRKMT2A | |
| Isophthalic Acid SCHEMBL2421564 | 0.91 | LTB4R (0.45) | FFAR4FFAR1LTB4RCES2CES1 | |
| Isophthalic Acid SCHEMBL29897950 | 0.91 | PLA2G4B (0.50) | LTB4RTSHRKMT2A | |
| Isophthalic Acid SCHEMBL735784 | 0.89 | AKR1B1 (0.57) | FFAR4FFAR1LTB4RAKR1B1CES2 | |
| SCHEMBL5378258 | 0.89 | LTB4R (0.44) | FFAR4FFAR1LTB4RPTGER1PTGER4 | |
| Terephthalic Acid SCHEMBL28828873 | 0.88 | FFAR4 (0.57) | FFAR4FFAR1AKR1B1PPARGPPARD | |
| Isophthalic Acid SCHEMBL30402759 | 0.88 | KMT2A (0.49) | LTB4RKMT2A | |
| Dodecanoate SCHEMBL28533789 | 0.87 | FFAR4 (0.60) | FFAR4FFAR1AKR1B1PPARGPPARD | |
| Isophthalic Acid SCHEMBL11333515 | 0.86 | CA12 (0.49) | LTB4RCES2CES1KMT2A | |
| Isophthalic Acid SCHEMBL2424318 | 0.85 | KMT2A (0.46) | LTB4RTDP1KMT2AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060154082-A1 | Flexible radiation curable compositions | SURFACE SPECIALTIES, S.A. (BE) | 2006-07-13 | — | — | US | disclosed |
| EP-1592726-A1 | FLEXIBLE RADIATION CURABLE COMPOSITIONS | CYTEC SURFACE SPECIALTIES, S.A. (BE) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004067599-A1 | FLEXIBLE RADIATION CURABLE COMPOSITIONS | SURFACE SPECIALTIES, S.A. (BE) | 2004-08-12 | — | — | WO | disclosed |
| US-20040152799-A1 | Flexible radiation curable compositions | SURFACE SPECIALTIES, S.A. (BE) | 2004-08-05 | — | — | US | disclosed |