Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.43 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29010226 | 0.87 | PPARG (0.45) | SCN4ANPC1RAB9AL3MBTL1JMJD6 | |
| SCHEMBL12988059 | 0.84 | SCN4A (0.49) | SCN4ANPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL20181866 | 0.81 | ALDH1A1 (0.49) | CYP2C19NPC1RAB9AL3MBTL1P2RX4 | |
| SCHEMBL27812967 | 0.79 | KMT2A (0.50) | NPC1RAB9AL3MBTL1P2RX4ALDH1A1 | |
| SCHEMBL25933306 | 0.78 | ALDH1A1 (0.46) | CYP2C19NPC1RAB9AL3MBTL1P2RX4 | |
| SCHEMBL20173269 | 0.77 | HTR2C (0.46) | CYP2C19NPC1RAB9AL3MBTL1P2RX4 | |
| SCHEMBL21187190 | 0.77 | ALDH1A1 (0.45) | CYP2C19NPC1RAB9AL3MBTL1P2RX4 | |
| SCHEMBL20121187 | 0.76 | RAB9A (0.52) | NPC1RAB9AKMT2AMEN1JMJD6 | |
| SCHEMBL22341331 | 0.76 | SCN4A (0.55) | SCN4ANPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL15500843 | 0.74 | L3MBTL1 (0.48) | NPC1RAB9AL3MBTL1P2RX4ALDH1A1 |
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 |