Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.56 |
| ▸ | TTR | P02766 | 2/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | BCR | P11274 | 1/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670143 | 1.00 | NFKB1 (0.56) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191726 | 0.94 | SLC5A1 (0.57) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191723 | 0.94 | SLC5A1 (0.57) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191523 | 0.92 | CYP3A4 (0.55) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191525 | 0.92 | CYP3A4 (0.55) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191660 | 0.91 | NQO2 (0.52) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191657 | 0.91 | NQO2 (0.52) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191921 | 0.90 | MAOA (0.63) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL16191751 | 0.90 | MAOA (0.63) | NFKB1DPP4NFKB2RELACYP1A1 | |
| SCHEMBL30358574 | 0.89 | ALOX5 (0.58) | RELATTRALOX5PTGS2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116270577-A | Application of polysubstituted benzene compounds in preparation of medicines for treating cognitive impairment diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-06-23 | — | — | CN | disclosed |
| CN-116270576-A | Application of polysubstituted benzene compounds in preparation of medicines for treating cognitive impairment diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-06-23 | — | — | CN | disclosed |
| CN-113521048-B | Application of polysubstituted benzene compound in preparation of medicine for treating cognitive disorder diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-04-14 | — | — | CN | disclosed |
| CN-113521048-A | Application of polysubstituted benzene compound in preparation of medicine for treating cognitive disorder diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2021-10-22 | — | — | CN | disclosed |