Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 3/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | POLA1 | P09884 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 7/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4331985 | 0.95 | APEX1 (0.40) | APEX1HAO1POLBPOLA1PPARG | |
| SCHEMBL16353565 | 0.93 | APEX1 (0.38) | APEX1PPARGEP300 | |
| Acrylic Acid SCHEMBL11334142 | 0.90 | ALOX15 (0.37) | APEX1PPARGTSHRALOX15HSD17B10 | |
| SCHEMBL1504266 | 0.90 | ALDH1A1 (0.42) | APEX1PPARGTSHRALDH1A1 | |
| SCHEMBL2244179 | 0.87 | APEX1 (0.37) | APEX1HAO1POLBPOLA1GPR84 | |
| SCHEMBL7564628 | 0.86 | CAMK2A (0.31) | ALDH1A1 | |
| SCHEMBL9453790 | 0.85 | AKR1B1 (0.42) | APEX1AKR1B1GPR84PPARGPPARD | |
| Acrylic Acid Ethyl Ester SCHEMBL5713081 | 0.84 | TSHR (0.40) | APEX1TSHRALDH1A1 | |
| SCHEMBL9117550 | 0.84 | FNTA (0.44) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL11190671 | 0.84 | FNTA (0.44) | AKR1B1GPR84PPARGPPARDPPARA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063125-B2 | Phthalate-free; aryl alkylsulfonate (phenyl C12-C20-alkylsulfonate) and diol dibenzoate or dibenzyl dicarboxylate such as dibenzyl adipate; plasticizer in plastics | LANXESS DEUTSCHLAND GMBH (DE) | 2011-11-22 | — | — | US | disclosed |
| US-20090197998-A1 | FAST-GELLING PLASTICIZER PREPARATIONS | LANXESS DEUTSCHLAND GMBH (DE) | 2009-08-06 | — | — | US | disclosed |