Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 7/20 | 0.32 |
| ▸ | CA1 | P00915 | 6/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9848723 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL4438455 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL905471 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL28187540 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL3526721 | 0.76 | TP53 (0.41) | ALDH1A1TP53CA2CA1CA9 | |
| SCHEMBL28036004 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL14779809 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TP53CA2CA1TSHR | |
| SCHEMBL7766646 | 0.75 | — | — | |
| SCHEMBL5281509 | 0.73 | SMPD1 (0.44) | ALDH1A1TP53CA2CA1FDPS | |
| SCHEMBL6307966 | 0.73 | TP53 (0.42) | ALDH1A1TP53CA2CA1FDPS |
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-111944012-B | Aromatic amine targeting AR and BET protein degradation chimeric compound and application thereof | 海创药业股份有限公司 | 2023-08-29 | — | — | CN | disclosed |