Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28835624 | 0.82 | AMY1A (0.50) | GSK3BNPC1KDM4ELMNAMEN1 | |
| SCHEMBL543706 | 0.81 | GSK3B (0.75) | GSK3BNPC1KDM4EMEN1KMT2A | |
| SCHEMBL30546567 | 0.81 | GSK3B (0.75) | GSK3BNPC1KDM4EMEN1KMT2A | |
| SCHEMBL10916104 | 0.80 | KDM4E (0.53) | KDM4ELMNAMEN1KMT2AAMY1A | |
| SCHEMBL1906596 | 0.80 | GSK3B (0.73) | GSK3BNPC1KDM4EMEN1KMT2A | |
| Methane SCHEMBL11813940 | 0.79 | GSK3B (0.73) | GSK3BNPC1KDM4EMEN1KMT2A | |
| SCHEMBL18825274 | 0.79 | RAB9A (0.59) | GSK3BATMSMN1; SMN2 | |
| SCHEMBL14711680 | 0.78 | GSK3B (1.00) | GSK3BNPC1KDM4EMEN1KMT2A | |
| SCHEMBL694554 | 0.78 | GSK3B (0.71) | GSK3BNPC1KDM4EMEN1KMT2A | |
| SCHEMBL696173 | 0.78 | GSK3B (0.71) | GSK3BNPC1KDM4ELMNAKMT2A |
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-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |