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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6230981 | 0.86 | HTR2A (0.40) | GPR3POLBKMT2AMEN1ATM | |
| Ethane SCHEMBL8163438 | 0.78 | GPR3 (0.44) | GPR3POLBKMT2AMEN1ATM | |
| Hydrochloric Acid SCHEMBL618216 | 0.72 | GPR3 (0.42) | GPR3POLBKMT2AMEN1ATM | |
| Hydrochloric Acid SCHEMBL8599251 | 0.70 | GPR3 (0.41) | GPR3POLBKMT2AMEN1ATM | |
| Hydrochloric Acid SCHEMBL8378993 | 0.70 | GPR3 (0.41) | GPR3POLBKMT2AMEN1ATM | |
| Hydrochloric Acid SCHEMBL7643268 | 0.70 | GPR3 (0.41) | GPR3POLBKMT2AMEN1ATM | |
| SCHEMBL8702175 | 0.69 | GPR3 (0.44) | GPR3POLBKMT2AMEN1ATM | |
| Ethylene SCHEMBL6914332 | 0.69 | GPR3 (0.39) | GPR3POLBKMT2AMEN1ATM | |
| Hydrochloric Acid SCHEMBL524858 | 0.68 | GPR3 (0.33) | GPR3 | |
| SCHEMBL8379078 | 0.67 | GPR3 (0.42) | GPR3POLBKMT2AMEN1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1313747-A1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | Basell Polypropylen GmbH (DE) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018397-A1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | BASELL POLYPROPYLEN GMBH (DE) | 2002-03-07 | — | — | WO | disclosed |