Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10387880 | 1.00 | GLO1 (0.47) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL8147465 | 1.00 | GLO1 (0.47) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL134789 | 0.82 | GLO1 (0.50) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL1618911 | 0.82 | GLO1 (0.50) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL15094234 | 0.82 | NPSR1 (0.56) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL8907248 | 0.81 | MEN1 (0.45) | CYP2C19ALDH1A1LMNANPSR1MAPT | |
| SCHEMBL3980815 | 0.80 | GLO1 (0.48) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| Water SCHEMBL7175634 | 0.80 | GLO1 (0.48) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL4778252 | 0.80 | GLO1 (0.48) | GLO1CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL821828 | 0.80 | GLO1 (0.48) | GLO1CYP2D6CYP2C19ALDH1A1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433225-A | Preparation method of 4- (diethoxyphosphoryl) -2-methyl-2-ethyl crotonate | 万华化学集团股份有限公司 | 2022-12-06 | — | — | CN | claimed |
| CN-113511971-B | 4-halogenated-2-methyl-2-butenoic acid ethyl ester and preparation method thereof | 上虞新和成生物化工有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-115304482-A | Preparation method of 4-chloro-2-methyl-ethyl crotonate | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 上虞新和成生物化工有限公司 | 2021-10-19 | — | — | CN | disclosed |
| US-5777149-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5681977-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-10-28 | — | — | US | disclosed |
| US-5631398-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5502236-A | Method for the production of (3-alkoxycarbonyl-2-butenyl)triphenylphosphonium salts | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |
| US-4937308-A | Preparation of alkyl O,O-dialkyl-γ-phosphonotiglates | BASF AKTIENGESELLSCHAFT (DE) | 1990-06-26 | — | — | US | disclosed |