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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL8632504 | 0.94 | KDM4E (0.38) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Hexane SCHEMBL8605514 | 0.91 | KDM4E (0.36) | ALDH1A1CYP1A2HPGDKDM4EMAPT | |
| Ethane SCHEMBL8630550 | 0.89 | TNF (0.32) | — | |
| Ethane SCHEMBL8631692 | 0.87 | CA12 (0.33) | ALDH1A1KDM4ECYP2A6MAPT | |
| Ethane SCHEMBL8631684 | 0.85 | KDM4E (0.37) | ALDH1A1KDM4ECYP2A6 | |
| Hexane SCHEMBL8630312 | 0.82 | CRHR1 (0.32) | KDM4E | |
| Propane SCHEMBL8630895 | 0.82 | CA12 (0.32) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Ethane SCHEMBL8628996 | 0.81 | CA12 (0.34) | ALDH1A1HSD17B10HPGDKDM4ETSHR | |
| Hydrochloric Acid SCHEMBL6466483 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP1A2HSD17B10HPGDKDM4E | |
| Hexane SCHEMBL8629488 | 0.80 | KDM4E (0.36) | ALDH1A1CYP1A2HPGDKDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | claimed |
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5693730-A | METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |