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 | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27997355 | 0.83 | AKR1C1 (0.54) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| Methacrylic Acid SCHEMBL1838687 | 0.82 | AKR1C1 (0.79) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL290469 | 0.82 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL39275 | 0.82 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL181529 | 0.82 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL10534387 | 0.81 | AKR1C1 (0.59) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL9312079 | 0.81 | AKR1C1 (0.59) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL9312077 | 0.81 | AKR1C1 (0.59) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL27448137 | 0.80 | AKR1C1 (0.96) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| Styrene SCHEMBL381689 | 0.79 | ALDH1A1 (0.54) | AKR1C3MEN1KMT2AALDH1A1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104350102-B | Ethylene-vinyl alcohol resin composition, multilayer structure, multilayer sheet, container, and packaging material | 株式会社可乐丽 | 2017-02-22 | — | — | CN | disclosed |
| CN-102844185-B | Process for production of multilayered structure | KURARAY CO | 2015-06-17 | — | — | CN | disclosed |
| CN-104350102-A | Ethylene-vinyl alcohol resin composition, multilayer structure, multilayer sheet, container, and packaging material | KURARAY CO | 2015-02-11 | — | — | CN | disclosed |