Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Ethyl Propionate. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 Propionate SCHEMBL4243851 | 0.98 | MAPT (0.47) | MAPTCA12CA1CA2CA7 | |
| SCHEMBL27977573 | 0.85 | ACHE (0.40) | MAPTDHODHCYP1A2KDM4EALDH1A1 | |
| Biphenyl SCHEMBL7178640 | 0.84 | SMN1; SMN2 (0.52) | MAPTTSHRSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL27675648 | 0.83 | SMN1; SMN2 (0.39) | MAPTDHODHCYP1A2SMN1; SMN2KDM4E | |
| Ethyl Propionate SCHEMBL4314413 | 0.81 | MGAM (0.50) | MAPTCA12CA1CA2CA7 | |
| SCHEMBL27544725 | 0.80 | MAPK1 (0.45) | MAPTCYP1A2TSHRKDM4EMEN1 | |
| Ethyl Acetate SCHEMBL8096818 | 0.80 | ALDH1A1 (0.58) | MAPTCA12CA1CA2CA7 | |
| Ethyl Propionate SCHEMBL27988302 | 0.79 | SMN1; SMN2 (0.49) | MAPTCA12CA1CA2CA7 | |
| Ethyl Propionate SCHEMBL28137046 | 0.79 | ALDH1A1 (0.44) | MAPTCA12CA1CA2CA7 | |
| Ethyl Propionate SCHEMBL11288186 | 0.79 | GAA (0.57) | CA12CA1CA2CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1089614-A | Alpha-phosphonosulfonate squalene synthetase inhibitors and method | SQUIBB & SONS INC (US) | 1994-07-20 | — | — | CN | disclosed |