Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL406516 | 0.86 | ALDH1A1 (0.41) | NR3C2HTTNPC1CYP1A2CYP2D6 | |
| SCHEMBL4951225 | 0.83 | HSD17B10 (0.41) | NR3C2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3168308 | 0.82 | POLB (0.53) | NR3C2CYP2C19MEN1KMT2APOLB | |
| SCHEMBL27134892 | 0.82 | CCNC (0.42) | NR3C2CYP1A2CYP2D6CYP2C19POLB | |
| SCHEMBL28258620 | 0.82 | NPBWR1 (0.40) | PTGS1SMN1; SMN2 | |
| SCHEMBL15428737 | 0.82 | NR3C2 (0.52) | NR3C2HTTNPC1RAB9AMEN1 | |
| SCHEMBL10926946 | 0.81 | XDH (0.46) | HTTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL30853122 | 0.80 | LMNA (0.36) | CYP1A2CYP2C19KLKB1PARP1 | |
| SCHEMBL4953424 | 0.80 | POLB (0.43) | NR3C2NPC1CYP2C19RAB9APOLB | |
| SCHEMBL15428570 | 0.78 | HTT (0.45) | NR3C2HTTRAB9AMEN1KMT2A |
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-114057646-B | Pyrazole derivative and application thereof in preparation of antitumor drugs | 常州大学 | 2023-05-02 | — | — | CN | disclosed |