Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29181145 | 1.00 | CYP2A6 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL30837417 | 1.00 | CYP2A6 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL20892220 | 1.00 | CYP2A6 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL19914069 | 0.94 | CYP2A6 (0.43) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL19914059 | 0.88 | ALDH1A1 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Dimethyl Sulfoxide SCHEMBL29053875 | 0.85 | CYP2A6 (0.57) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL1268560 | 0.80 | — | — | |
| SCHEMBL9592353 | 0.79 | ALDH1A1 (0.30) | ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8779728 | 0.79 | — | — | |
| SCHEMBL11663197 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4E |
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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4916128-A | Thiadiazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-10 | — | — | US | claimed |
| US-3998875-A | PROCESS OF PREPARING 5-FLUORO-2-METHYL-1-(PARAMETHYLSULFINYLBENZYLIDENE)-INDENYL-3-ACETIC ACID | MERCK & CO., INC. (US) | 1976-12-21 | — | — | US | claimed |
| CN-117865952-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117486768-B | Preparation method of p-methylthiobenzaldehyde | 山东国邦药业有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117778339-A | Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester | 遵义医科大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-117757763-A | Sulfoxide reductase mutant and application thereof in chiral sulfoxide preparation | 遵义医科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-117486768-A | Preparation method of p-methylthiobenzaldehyde | 山东国邦药业有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-114072404-B | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-09-15 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-114072404-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| US-10941134-B2 | AMPK-activating heterocyclic compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2021-03-09 | — | — | US | disclosed |
| US-3974278-A | 1,4-Dihydropyridine esters | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |
| US-3971796-A | 1,4-Dihydropyridine esters | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-27 | — | — | US | disclosed |
| US-3966948-A | Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |
| US-3954852-A | Indenylacetic acid compounds | MERCK & CO., INC. (US) | 1976-05-04 | — | — | US | disclosed |
| US-3946028-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3946027-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3943140-A | HYPOTENSIVE, VASODILATION | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-09 | — | — | US | disclosed |
| US-3914318-A | Process for preparing 4-methylsulfinylbenzaldehyde | DRAVO LIME COMPANY, A CORP. OF DE | 1975-10-21 | — | — | US | disclosed |
| US-3914318-A | Process for preparing 4-methylsulfinylbenzaldehyde | DRAVO LIME COMPANY, A CORP. OF DE | 1975-10-21 | — | — | US | disclosed |
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-10941134-B2 | AMPK-activating heterocyclic compounds and methods for using the same | PRKAG1, PRKAG2, PRKAB1 | CYP2A6 1300/4885ALDH1A1 807/4885TYR 1688/4885 |
“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.