Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.52 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MECP2 | P51608 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8307816 | 0.86 | MAP4K4 (0.50) | CYP2A6MAOAMAP4K4PLA2G7ALDH1A1 | |
| SCHEMBL29628996 | 0.84 | CYP2A6 (0.71) | CYP2A6BACE1JAK2JAK1TYK2 | |
| SCHEMBL9479255 | 0.84 | CYP2A6 (0.71) | CYP2A6BACE1JAK2JAK1TYK2 | |
| SCHEMBL29471388 | 0.84 | MAOA (0.68) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| SCHEMBL2023695 | 0.84 | MAOA (0.68) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| SCHEMBL2442271 | 0.82 | MAOA (0.65) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| SCHEMBL7642404 | 0.80 | MAOA (0.70) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| SCHEMBL30449021 | 0.80 | MAOA (0.70) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| Ethane SCHEMBL28326570 | 0.80 | MAOA (0.62) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 | |
| SCHEMBL29726725 | 0.80 | MAOA (0.70) | MAOAMAP4K4ALDH1A1CYP3A4CASP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440414-B | Pyrazolone amide antifungal drug and preparation method and application thereof | 中国人民解放军第二军医大学 | 2021-07-09 | — | — | CN | disclosed |
| CN-105985248-B | A kind of method of synthesizing amino Diaromatic compound | 上海泰禾国际贸易有限公司 | 2018-10-26 | — | — | CN | disclosed |
| EP-1984331-B1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORP (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| US-20040259875-A1 | Amine derivatives | BAYER HEALTHCARE AG (DE) | 2004-12-23 | — | — | US | disclosed |
| EP-1414788-A1 | NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS | Bayer HealthCare AG (DE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003014064-A1 | NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS | BAYER HEALTHCARE AG (DE) | 2003-02-20 | — | — | 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 (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-20040259875-A1 | Amine derivatives | AVPR1A, GRIN1, OPRL1 | CYP2A6 4361/4885MAOA 1047/4885MAP4K4 1377/4885 |
“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.