Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.41 |
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 SCHEMBL2421564 | 0.94 | LTB4R (0.45) | KMT2AMEP1BAPEX1LTB4RLMNA | |
| Isophthalic Acid SCHEMBL6038272 | 0.93 | KMT2A (0.51) | KMT2AAPEX1CA12CA1CA2 | |
| Terephthalic Acid SCHEMBL29040066 | 0.90 | KMT2A (0.49) | KMT2AAPEX1CA12CA1CA2 | |
| Terephthalic Acid SCHEMBL28768369 | 0.86 | ALDH1A1 (0.47) | KMT2ACA12CA2CA9 | |
| Terephthalic Acid SCHEMBL2420235 | 0.86 | ALDH1A1 (0.47) | KMT2ACA12CA2CA9 | |
| Isophthalic Acid SCHEMBL5951008 | 0.85 | FFAR4 (0.51) | KMT2ALTB4RTDP1HSD17B10 | |
| Isophthalic Acid SCHEMBL30402759 | 0.83 | KMT2A (0.49) | KMT2AAPEX1LTB4RCA12CA1 | |
| Benzoic Acid SCHEMBL2013041 | 0.83 | TSHR (0.56) | KMT2ALMNA | |
| Benzoic Acid SCHEMBL17391496 | 0.83 | TSHR (0.56) | KMT2ALMNA | |
| Isophthalic Acid SCHEMBL3877625 | 0.82 | PLA2G4B (0.48) | KMT2ALTB4R |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2202267-B1 | Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition | DAIHACHI CHEM IND (JP) | 2011-12-07 | — | — | EP | disclosed |
| EP-1491523-B1 | ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION | DAIHACHI CHEM IND (JP) | 2011-09-14 | — | — | EP | disclosed |
| EP-2202267-A1 | Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-06-30 | — | — | EP | disclosed |
| US-7166654-B2 | Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-20050228092-A1 | Ester compound, plasticizer for bioegradable aliphatic polyester resin, and biodegradable resin composition | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-10-13 | — | — | US | disclosed |