Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL2694891 | 0.90 | TDP1 (0.39) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL10788468 | 0.69 | TDP1 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL27526681 | 0.69 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL3946960 | 0.69 | CYP3A4 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL3943018 | 0.69 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL5591026 | 0.69 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL5755629 | 0.69 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL27638605 | 0.67 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL6904627 | 0.67 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL8672611 | 0.65 | TDP1 (0.47) | CYP3A4TDP1ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4301074-A | 6-(1'-Hydroxyethyl)-2-substituted-pen-2-em-3-carboxylic acid | MERCK & CO., INC. (US) | 1981-11-17 | — | — | US | disclosed |