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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 SCHEMBL6558603 | 0.84 | DNMT1 (0.40) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL2522928 | 0.72 | ALDH1A1 (0.38) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL8853408 | 0.72 | ALDH1A1 (0.38) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| SCHEMBL26818332 | 0.71 | KDM1A (0.48) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| SCHEMBL20365834 | 0.71 | POLB (0.45) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL3918950 | 0.68 | KDM4E (0.40) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Fluoride Ion SCHEMBL7643349 | 0.68 | ALDH1A1 (0.38) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| SCHEMBL12442376 | 0.67 | ALDH1A1 (0.42) | MAPTALDH1A1CYP2A6HSD17B10TSHR | |
| Ethane SCHEMBL8163438 | 0.66 | GPR3 (0.44) | TSHRLMNAPOLBCYP1A2MEN1 | |
| SCHEMBL12537735 | 0.65 | ALDH1A1 (0.43) | MAPTALDH1A1CYP2A6HSD17B10TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1123938-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2001-08-16 | — | — | EP | disclosed |
| EP-0672675-A1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| US-5451649-A | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-19 | — | — | US | disclosed |