Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Ethyl Acetate. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CDC25B | P30305 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL27934098 | 0.81 | ALDH1A1 (0.51) | LMNACYP1A2KDM4EPOLBKMT2A | |
| Isoquinoline SCHEMBL29093040 | 0.77 | CCNC (0.45) | LMNACYP1A2KDM4EKMT2AMAPK1 | |
| SCHEMBL29375416 | 0.76 | PRKCZ (0.46) | LMNACYP1A2CYP2D6KDM4EGLA | |
| SCHEMBL111247 | 0.76 | PRKCZ (0.46) | LMNACYP1A2CYP2D6KDM4EGLA | |
| Phenanthrene SCHEMBL28332300 | 0.75 | ALDH1A1 (0.54) | LMNAKDM4EGLAKMT2AMAPK1 | |
| Ethyl Acetate SCHEMBL27610053 | 0.75 | ALDH1A1 (0.58) | LMNACYP1A2KDM4EKMT2AMAPK1 | |
| Iodide SCHEMBL27879062 | 0.75 | PRKCZ (0.44) | LMNACYP1A2CYP2D6KDM4EGLA | |
| Naphthalene SCHEMBL27267438 | 0.75 | ALDH1A1 (0.64) | LMNACYP1A2KDM4EGLAKMT2A | |
| Phthalazine SCHEMBL28298367 | 0.74 | ALDH1A1 (0.52) | LMNACYP1A2CYP2D6HIF1AKDM4E | |
| SCHEMBL6222554 | 0.74 | CDC25B (0.60) | LMNACYP1A2KDM4EGLAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116947854-A | Preparation method of imidazo [2,1-a ] isoquinoline compound | 赣南师范大学 | 2023-10-27 | — | — | CN | claimed |
| CN-116947854-A | Preparation method of imidazo [2,1-a ] isoquinoline compound | 赣南师范大学 | 2023-10-27 | — | — | CN | disclosed |