Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL3617612 | 0.85 | GSK3B (0.43) | ALDH1A1KMT2AKDM4EGSK3B | |
| SCHEMBL28450537 | 0.78 | HPGD (0.54) | ALDH1A1KMT2ATYRKDM4E | |
| SCHEMBL6577194 | 0.78 | ALDH1A1 (0.56) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL27800497 | 0.76 | LMNA (0.46) | ALDH1A1PARP10KMT2AKDM4E | |
| SCHEMBL16382591 | 0.75 | ALDH1A1 (0.58) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 | |
| SCHEMBL3754834 | 0.75 | KMT2A (0.56) | ALDH1A1KMT2AKDM4EGSK3B | |
| SCHEMBL6579588 | 0.74 | HSD17B3 (0.62) | ALDH1A1PARP10PARP3ALDH3A1ALDH1A3 | |
| SCHEMBL28413239 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EHSD17B10 | |
| SCHEMBL1419504 | 0.74 | GSK3B (0.59) | ALDH1A1PARP10PARP3ALDH5A1ABAT | |
| SCHEMBL27407615 | 0.74 | ALDH1A1 (0.56) | ALDH1A1PARP10PARP3CYP2A6ALDH5A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114994011-A | Surface-enhanced Raman spectrum probe for specifically detecting cysteine, and preparation method and application thereof | 华东师范大学 | 2022-09-02 | — | — | CN | claimed |
| CN-111211355-A | High-voltage lithium ion battery electrolyte additive, electrolyte and battery thereof | 松山湖材料实验室 | 2020-05-29 | — | — | CN | claimed |
| CN-109071607-B | Vancomycin derivatives, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2022-09-27 | — | — | CN | disclosed |
| CN-114994011-A | Surface-enhanced Raman spectrum probe for specifically detecting cysteine, and preparation method and application thereof | 华东师范大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-113394451-A | Lithium ion battery electrolyte containing unsaturated bond silane additive and lithium ion battery | 杉杉新材料（衢州）有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-111211355-A | High-voltage lithium ion battery electrolyte additive, electrolyte and battery thereof | 松山湖材料实验室 | 2020-05-29 | — | — | CN | disclosed |