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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.42 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11820178 | 0.83 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| SCHEMBL29674805 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| SCHEMBL1010663 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| Nitric Acid SCHEMBL6691619 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| Methane SCHEMBL27506999 | 0.80 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| SCHEMBL27415737 | 0.80 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| Ethyl Acetate SCHEMBL29093227 | 0.79 | KDM4E (0.47) | ALDH1A1TRPV1MAPTMAPK1RAB9A | |
| SCHEMBL27680732 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTSMN1; SMN2KDM4EMAPKAPK2 | |
| Isoquinoline SCHEMBL29093040 | 0.76 | CCNC (0.45) | ALDH1A1TRPV1MAPK1KDM4EKMT2A | |
| Ethyl Acetate SCHEMBL27861469 | 0.76 | RAB9A (0.52) | ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A |
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 |