Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL8586272 | 0.90 | ALDH1A1 (0.64) | ALDH1A1CYP3A4HSD17B10USP2MMP9 | |
| SCHEMBL27929287 | 0.86 | ALDH1A1 (0.75) | ALDH1A1CYP3A4USP2MMP9MMP8 | |
| Propylene Glycol SCHEMBL8646897 | 0.83 | CYP3A4 (0.60) | ALDH1A1CYP3A4HSD17B10USP2MMP9 | |
| SCHEMBL18860796 | 0.83 | CYP3A4 (0.53) | ALDH1A1CYP3A4HSD17B10USP2MMP9 | |
| Octane SCHEMBL11341855 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CYP3A4USP2MMP9MMP8 | |
| Butanol SCHEMBL5888666 | 0.82 | ALDH1A1 (0.82) | ALDH1A1CYP3A4LMNATDP1TSHR | |
| Propylene Glycol SCHEMBL27724191 | 0.82 | ALDH1A1 (0.82) | ALDH1A1CYP3A4LMNATDP1TSHR | |
| Alcohol SCHEMBL8602645 | 0.82 | HSD17B10 (0.67) | CYP3A4HSD17B10USP2TDP1TSHR | |
| SCHEMBL9319125 | 0.82 | — | — | |
| SCHEMBL15902 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825974-A4 | ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS | GREAT LAKES CHEMICAL CORP (US) | 1998-07-08 | — | — | EP | claimed |
| EP-0825974-A1 | ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS | GREAT LAKES CHEMICAL CORPORATION (US) | 1998-03-04 | — | — | EP | claimed |
| US-5637757-A | REACTING TETRABROMOPHTHALIC ANHYDRIDE WITH AN ALCOHOL IN PRESENCE OF A DECARBOXYLATION CATALYST | GREAT LAKES CHEMICAL CORPORATION (US) | 1997-06-10 | — | — | US | claimed |
| WO-1996032368-A1 | ONE-POT SYNTHESIS OF RING-BROMINATED BENZOATE COMPOUNDS | GREAT LAKES CHEMICAL CORPORATION (US) | 1996-10-17 | — | — | WO | claimed |