Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28714020 | 0.86 | TOP1 (0.51) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL19831559 | 0.83 | KDM4E (0.43) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL29914871 | 0.82 | TGFBR1 (0.47) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL160064 | 0.82 | KDM4E (0.67) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL23039394 | 0.81 | ACLY (0.46) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL30854738 | 0.81 | ACLY (0.46) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL20937054 | 0.81 | KDM4E (0.46) | TOP1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL3779014 | 0.81 | GRM5 (0.59) | KDM4EALDH1A1MAPK1RAB9AKAT6A | |
| SCHEMBL28714019 | 0.80 | KDM4E (0.48) | KDM4EALDH1A1MAPK1RAB9APDK2 | |
| SCHEMBL9974907 | 0.80 | LMNA (0.52) | TOP1KDM4EALDH1A1MAPK1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111635436-A | Fluorine-containing substituted metal complex | 北京夏禾科技有限公司 | 2020-09-08 | — | — | CN | disclosed |