Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL669636 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL1889645 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL1131998 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| Zinc Ion SCHEMBL2788244 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL7068224 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL1426602 | 0.97 | LIG1 (0.67) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL3798396 | 0.86 | KDM4E (0.71) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL9696302 | 0.86 | LIG1 (0.71) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL40310 | 0.84 | LIG1 (0.69) | LIG1KDM4ECYP3A4ADRB2ADRB1 | |
| SCHEMBL29519569 | 0.84 | LIG1 (0.69) | LIG1KDM4ECYP3A4ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10119093-B2 | Composition and method for preventing or reducing engine knock and pre-ignition in high compression spark ignition engines | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2018-11-06 | — | — | US | disclosed |
| EP-3303527-A1 | COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES | ExxonMobil Research and Engineering Company (US) | 2018-04-11 | — | — | EP | disclosed |
| US-20160348028-A1 | COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2016-12-01 | — | — | US | disclosed |
| WO-2016191409-A1 | COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2016-12-01 | — | — | WO | disclosed |