Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA2 | Q9HCG7 | 3/20 | 0.38 |
| ▸ | GBA1 | P04062 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007267 | 0.90 | LSS (0.38) | POLBDPP4MAPT | |
| SCHEMBL3392895 | 0.87 | GBA2 (0.35) | GBA2GBA1POLBHPGDDPP4 | |
| SCHEMBL23527269 | 0.84 | GBA2 (0.35) | GBA2GBA1POLBHPGD | |
| SCHEMBL26689858 | 0.82 | GBA2 (0.40) | GBA2GBA1GLB1MAPTGUSB | |
| SCHEMBL16246609 | 0.80 | DPP4 (0.35) | GBA2GBA1POLBHPGDCHRM1 | |
| SCHEMBL3317512 | 0.76 | GAA (0.41) | GBA2GBA1POLB | |
| SCHEMBL21292661 | 0.76 | GAA (0.41) | GBA2GBA1POLB | |
| SCHEMBL30064858 | 0.76 | GAA (0.41) | GBA2GBA1POLB | |
| SCHEMBL16279687 | 0.76 | GAA (0.41) | GBA2GBA1POLB | |
| SCHEMBL2975933 | 0.74 | TMEM97 (0.49) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3144292-B1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) | 2020-08-26 | — | — | EP | disclosed |
| US-9879008-B2 | 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2018-01-30 | — | — | US | disclosed |
| CN-104105696-B | The nitrile compound of 5 (the base amino of pyridine 2) pyrazine 2 and its therapeutical uses | 癌症研究技术有限公司 | 2017-11-14 | — | — | CN | disclosed |
| EP-3144292-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20170057957-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-03-02 | — | — | US | disclosed |
| EP-1263760-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| EP-1263725-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062757-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |
| WO-2001062729-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | 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-20170057957-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | CYP4F11, CYP2D6, CYP4B1 | GBA2 2108/4885GBA1 1077/4885POLB 2478/4885 |
“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.