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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | KMO | O15229 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | UNG | P13051 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
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 SCHEMBL2289641 | 0.88 | KMO (0.50) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL27408220 | 0.87 | UNG (0.44) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL15571798 | 0.86 | KMO (0.49) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL15571507 | 0.86 | KMO (0.49) | CA12CA1CA2CA6CA9 | |
| Benzoic Acid SCHEMBL2491831 | 0.86 | TSHR (0.70) | HSD17B10KMOCYP2C9DAOTSHR | |
| Isophthalic Acid SCHEMBL22462 | 0.85 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL28462260 | 0.85 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL147366 | 0.85 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL20500514 | 0.85 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL2512374 | 0.85 | CA12 (0.71) | CA12CA1CA2CA6CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1976930-B | 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido(3,2-b)indol-2-ones useful as anti-infective pharmaceutical agents | TIBOTEC PHARM LTD | 2011-01-19 | — | — | CN | disclosed |
| CN-1976930-A | 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido(3,2-b)indol-2-ones useful as anti-infective pharmaceutical agents | TIBOTEC PHARM LTD (IE) | 2007-06-06 | — | — | CN | disclosed |
| EP-0520113-A2 | Water-soluble rosin polyamide resins | WESTVACO CORPORATION (US) | 1992-12-30 | — | — | EP | disclosed |
| US-4182845-A | AND DICARBOXYLIC ACID, ESTER, OR ANHYDRIDE | TEXACO DEVELOPMENT CORPORATION (US) | 1980-01-08 | — | — | US | disclosed |
| US-4162931-A | FROM POLYOXYPROPYLENE DIAMINES AND PIPERAZINE TO PROVIDE FLEXIBILITY | TEXACO DEVELOPMENT CORP. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4128525-A | PLASTICIZER, POLYAMIDE | TEXACO DEVELOPMENT CORP. (US) | 1978-12-05 | — | — | US | disclosed |