Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Terephthalamide. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.57 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.56 |
| ▸ | PARP15 | Q460N3 | 3/20 | 0.56 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.56 |
| ▸ | TNKS | O95271 | 1/20 | 0.56 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.56 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | PLA2G10 | O15496 | 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL6068910 | 0.96 | PARP1 (0.61) | PARP1PARP10PARP15PARP14TNKS | |
| Terephthalamide SCHEMBL5692322 | 0.91 | PARP1 (0.67) | PARP1PARP10PARP15PARP14TNKS | |
| Terephthalamide SCHEMBL704245 | 0.90 | PARP1 (0.52) | PARP1PARP10PARP15PARP14TNKS | |
| SCHEMBL10458793 | 0.89 | PARP1 (0.64) | PARP1PARP10PARP15PARP14TNKS | |
| SCHEMBL31021028 | 0.86 | PARP1 (0.73) | PARP1PARP10PARP15PARP14TNKS | |
| SCHEMBL36694 | 0.86 | PARP1 (0.73) | PARP1PARP10PARP15PARP14TNKS | |
| SCHEMBL294705 | 0.85 | PARP1 (0.55) | PARP1PARP10PARP15PARP14TNKS | |
| Terephthalamide SCHEMBL4985044 | 0.84 | PARP1 (0.59) | PARP1PARP10PARP15PARP14TNKS | |
| Water SCHEMBL7768285 | 0.84 | PARP1 (0.70) | PARP1PARP10PARP15PARP14TNKS | |
| Methane SCHEMBL688609 | 0.84 | PARP1 (0.70) | PARP1PARP10PARP15PARP14TNKS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1769028-A4 | GAS-BARRIER NANOCOMPOSITE COMPOSITION AND ARTICLE USING THE SAME | LG CHEMICAL LTD (KR) | 2009-03-11 | — | — | EP | disclosed |
| EP-1769028-A1 | GAS-BARRIER NANOCOMPOSITE COMPOSITION AND ARTICLE USING THE SAME | LG Chem. Ltd. (KR) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006009360-A1 | GAS-BARRIER NANOCOMPOSITE COMPOSITION AND ARTICLE USING THE SAME | LG CHEM. LTD. (KR) | 2006-01-26 | — | — | WO | disclosed |