Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNA2 | P51530 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29264078 | 1.00 | DNA2 (0.47) | DNA2CASP6CTDSP1KMT2AKDM4E | |
| SCHEMBL29264058 | 0.85 | PIM1 (0.56) | KMT2AKDM4EGAARAB9ARXRA | |
| SCHEMBL29264055 | 0.85 | PIM1 (0.56) | KMT2AKDM4EGAARAB9ARXRA | |
| SCHEMBL30561991 | 0.85 | PIM1 (0.56) | KMT2AKDM4EGAARAB9ARXRA | |
| SCHEMBL2539641 | 0.79 | HSP90AA1 (0.53) | KMT2AGAARXRAHTTSMN1; SMN2 | |
| SCHEMBL2537021 | 0.79 | RXRA (0.49) | KMT2ARXRAHTTFBP1MAPT | |
| SCHEMBL2537020 | 0.79 | RXRA (0.49) | KMT2ARXRAHTTFBP1MAPT | |
| SCHEMBL2539642 | 0.79 | HSP90AA1 (0.53) | KMT2AGAARXRAHTTSMN1; SMN2 | |
| SCHEMBL19651761 | 0.79 | DNA2 (0.50) | DNA2CASP6CTDSP1KMT2AGAA | |
| SCHEMBL23248787 | 0.78 | BACE1 (0.44) | KMT2AKDM4EGAARXRAFBP1 |
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-116836160-A | Fluoro-phenylacetyl tetrahydro-beta-carboline micromolecule organic compound for targeting tumor dryness and medical application thereof | 华东师范大学 | 2023-10-03 | — | — | CN | disclosed |