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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 SCHEMBL5194963 | 0.89 | TDP1 (0.41) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL67801 | 0.81 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL1275643 | 0.81 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8797597 | 0.78 | CYP3A4 (0.32) | CYP3A4TDP1 | |
| Ethane SCHEMBL10788468 | 0.71 | TDP1 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL27526681 | 0.71 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL5591026 | 0.71 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL3943018 | 0.71 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL3946960 | 0.71 | CYP3A4 (0.53) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethane SCHEMBL27638605 | 0.69 | TDP1 (0.80) | 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115784826-A | Method for nickel-catalyzed double-carbon functionalization reaction of non-activated olefin | 南京师范大学 | 2023-03-14 | — | — | CN | claimed |
| CN-115651017-A | Method for selectively preparing benzyl or alkyl phosphine oxide compound based on benzyl thioether derivative | 中南大学 | 2023-01-31 | — | — | CN | claimed |
| CN-110511188-B | Preparation method of 2-imino dihydro quinazolinone compound | 烟台大学 | 2022-09-20 | — | — | CN | claimed |
| CN-114956979-A | Catalyst system for synthesizing phenylacetic acid from toluene | 中国科学技术大学 | 2022-08-30 | — | — | CN | claimed |
| CN-114605306-B | Method for synthesizing organic sulfur compound based on alkyl xanthate and application thereof | 南京师范大学 | 2022-07-29 | — | — | CN | claimed |
| CN-111057053-B | Preparation method of zolpidem | 复旦大学 | 2022-07-08 | — | — | CN | claimed |
| CN-112592301-B | Photocatalysis synthesis method of aryl thioether and derivatives thereof | 浙江工业大学 | 2022-06-17 | — | — | CN | claimed |
| CN-114605306-A | Method for synthesizing organic sulfur compound based on alkyl xanthate and application thereof | 南京师范大学 | 2022-06-10 | — | — | CN | claimed |
| CN-114573412-A | Preparation method of benzoperylene | 杭州凯名庞德生物科技有限公司 | 2022-06-03 | — | — | CN | claimed |
| CN-114149405-A | Method for synthesizing aromatic thioether through aromatic exchange bimetallic catalysis and application | 中国科学院大学 | 2022-03-08 | — | — | CN | claimed |
| CN-112939728-A | Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene | 石家庄手性化学有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-112778127-A | Preparation method of flurbiprofen | 北京澳合药物研究院有限公司 | 2021-05-11 | — | — | CN | claimed |
| CN-112079865-A | Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof | 中国科学院上海有机化学研究所 | 2020-12-15 | — | — | CN | claimed |
| CN-108658929-B | Preparation method of high-purity 2- (4-fluorophenyl) thiophene | 宁波人健化学制药有限公司 | 2020-11-17 | — | — | CN | claimed |
| CN-111100536-A | Anti-aging ultraviolet curing composite conductive coating and preparation method thereof | 宁波其兰文化发展有限公司 | 2020-05-05 | — | — | CN | claimed |
| CN-111057053-A | Preparation method of zolpidem | 复旦大学 | 2020-04-24 | — | — | CN | claimed |
| CN-110511188-A | A kind of preparation method of 2- imino group dihydro quianzolinones | UNIV YANTAI | 2019-11-29 | — | — | CN | claimed |
| EP-1648884-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2006-04-26 | — | — | EP | claimed |
| US-20050032869-A1 | Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | PHARMACIA ITALIA S.P.A. (IT) | 2005-02-10 | — | — | US | claimed |
| WO-2005005414-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2005-01-20 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050032869-A1 | Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | MAP3K9, MAP3K20, MAP3K19 | ACHE 2188/4885CYP3A4 1408/4885TDP1 1397/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.