Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2533168 | 0.87 | APP (0.42) | APP | |
| SCHEMBL1246271 | 0.84 | CYP2A6 (0.57) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL20015760 | 0.84 | CYP2A6 (0.57) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL3433350 | 0.80 | CYP2A6 (0.44) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL30486018 | 0.79 | CYP1A1 (0.44) | APP | |
| SCHEMBL5012561 | 0.79 | CYP2A6 (0.50) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL21252648 | 0.74 | CYP2A6 (0.44) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL20488929 | 0.74 | CYP2A6 (0.44) | CYP2A6MAOBMAOAALDH1A1ALOX15 | |
| SCHEMBL22779082 | 0.74 | GRM5 (0.48) | CYP2A6ALDH1A1TDP1CA1CA2 | |
| SCHEMBL990765 | 0.74 | LMNA (0.44) | CYP2A6MAOBMAOAAPPACACB |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116162046-A | Alkynyl sulfone derivative and preparation method and application thereof | 云南民族大学 | 2023-05-26 | — | — | CN | claimed |
| CN-116162046-B | Alkynyl sulfone derivative and preparation method and application thereof | 云南民族大学 | 2025-06-13 | — | — | CN | disclosed |
| EP-3538623-B1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | MERCK PATENT GMBH (DE) | 2023-12-20 | — | — | EP | disclosed |
| CN-115197046-B | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2023-12-15 | — | — | CN | disclosed |
| US-20230354701-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | MERCK PATENT GMBH (DE) | 2023-11-02 | — | — | US | disclosed |
| EP-4271163-A2 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | Merck Patent GmbH (DE) | 2023-11-01 | — | — | EP | disclosed |
| CN-113800998-B | Preparation method of (2-bromoethynyl) benzene compound | 浙江师范大学 | 2023-08-25 | — | — | CN | disclosed |
| US-11711976-B2 | Compounds with an acceptor and a donor group | MERCK PATENT GMBH (DE) | 2023-07-25 | — | — | US | disclosed |
| CN-114591198-B | Preparation method of cyanoalkyne compound | 江苏科技大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-116162046-A | Alkynyl sulfone derivative and preparation method and application thereof | 云南民族大学 | 2023-05-26 | — | — | CN | disclosed |
| CN-115197046-A | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2022-10-18 | — | — | CN | disclosed |
| CN-114591198-A | Preparation method of novel cyanoacetylene hydrocarbon compound | 江苏科技大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113800998-A | Preparation method of (2-bromoethynyl) benzene compound | 浙江师范大学 | 2021-12-17 | — | — | CN | disclosed |
| US-20200203624-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | US | disclosed |
| EP-3538623-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | Merck Patent GmbH (DE) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018087346-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | MERCK PATENT GMBH (DE) | 2018-05-17 | — | — | WO | 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 (3 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-11711976-B2 | Compounds with an acceptor and a donor group | NQO1, ICMT, NUDT1 | CYP2A6 778/4885MAOB 173/4885MAOA 193/4885 |
| US-20200203624-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | NQO1, ICMT, NUDT1 | CYP2A6 778/4885MAOB 173/4885MAOA 193/4885 |
| US-20230354701-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | NQO1, ICMT, NUDT1 | CYP2A6 778/4885MAOB 173/4885MAOA 193/4885 |
“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.