Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 11/20 | 0.63 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.63 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.57 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.57 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30358563 | 1.00 | CYP1A2 (0.63) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL28672296 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL28672297 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL16191990 | 0.87 | TUBB4A (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2TDP1 | |
| SCHEMBL16191991 | 0.87 | TUBB4A (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2TDP1 | |
| SCHEMBL13927172 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL16191546 | 0.83 | MAPT (0.57) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL16191542 | 0.83 | MAPT (0.57) | CYP1A2CYP1A1CYP1B1NFE2L2MAPT | |
| SCHEMBL16191530 | 0.83 | ABCG2 (0.57) | CYP1A2CYP1A1CYP1B1MAPTKMT2A | |
| SCHEMBL16191533 | 0.83 | ABCG2 (0.57) | CYP1A2CYP1A1CYP1B1MAPTKMT2A |
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 3 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-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 |