Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6766148 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL28956536 | 0.78 | BAZ2B (0.38) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL30694129 | 0.75 | SLC6A15 (0.40) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL883086 | 0.72 | KMT2A (0.53) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL10286556 | 0.71 | MAOA (0.42) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL10271343 | 0.69 | KMT2A (0.49) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL10286485 | 0.69 | KMT2A (0.39) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL5548270 | 0.68 | ITGB3 (0.40) | ALDH1A1KMT2AKDM4EMEN1HPGD | |
| SCHEMBL5604467 | 0.67 | KMT2A (0.63) | CNR2ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL23376842 | 0.67 | MAOA (0.38) | ALDH1A1KMT2AKDM4EMEN1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819469-A | High-activity transition metal iron complex, preparation method and application thereof | 中国科学院化学研究所 | 2023-03-21 | — | — | CN | disclosed |
| CN-115385966-A | High-activity transition metal cobalt complex, preparation method and application thereof | 中国科学院化学研究所 | 2022-11-25 | — | — | CN | disclosed |