Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 5/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906546 | 0.82 | KEAP1 (0.47) | KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21349700 | 0.82 | KDM4E (0.53) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21349339 | 0.81 | KDM4E (0.47) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21348932 | 0.79 | ALDH1A1 (0.50) | KDM4ESMN1; SMN2L3MBTL1ABL1ALDH1A1 | |
| SCHEMBL31320124 | 0.79 | ALDH1A1 (0.50) | KDM4ESMN1; SMN2L3MBTL1ABL1ALDH1A1 | |
| SCHEMBL12590479 | 0.76 | MAPT (0.44) | PLA2G2AKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28906484 | 0.75 | MAPT (0.42) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21551592 | 0.75 | PLA2G2A (0.43) | PLA2G2AKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30931812 | 0.75 | PLA2G2A (0.43) | PLA2G2AKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28906556 | 0.73 | JMJD6 (0.42) | PLA2G2AKDM4EMAPTL3MBTL1ALDH1A1 |
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-115304623-A | Pyrimido-cyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2022-11-08 | — | — | CN | disclosed |