Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL28892313 | 1.00 | TDP1 (0.40) | TDP1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL28892521 | 0.83 | GAA (0.39) | MAPTMEN1KMT2AKDM4EGAA | |
| SCHEMBL30002023 | 0.83 | GAA (0.39) | MAPTMEN1KMT2AKDM4EGAA | |
| SCHEMBL30002757 | 0.82 | KIT (0.34) | TDP1CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL28892349 | 0.82 | KIT (0.34) | TDP1CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL30002421 | 0.80 | MEN1 (0.47) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL28892709 | 0.79 | KDM4E (0.39) | KDM4EMPOPDE10ASMN1; SMN2CSF1R | |
| SCHEMBL30002400 | 0.79 | KDM4E (0.39) | KDM4EMPOPDE10ASMN1; SMN2CSF1R | |
| SCHEMBL28892336 | 0.78 | SMN1; SMN2 (0.36) | TDP1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL30002031 | 0.77 | DHFR (0.38) | TDP1MAPTMEN1KMT2AGAA |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |