Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 3/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28710153 | 0.86 | SMN1; SMN2 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL29010232 | 0.86 | MGLL (0.41) | MGLLHCAR2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28710156 | 0.86 | MGLL (0.45) | MGLLHCAR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL28712258 | 0.82 | MEN1 (0.44) | RAB9AALDH1A1CYP19A1L3MBTL1KDM4E | |
| SCHEMBL29010228 | 0.81 | CTRB1 (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL3084476 | 0.79 | KCNH2 (0.44) | GABRG2GABRB3GABRA5GABRA3NPC1 | |
| SCHEMBL29010240 | 0.79 | MAPT (0.44) | NPC1RAB9AALDH1A1L3MBTL1P2RX4 | |
| SCHEMBL29010236 | 0.77 | PARP1 (0.48) | NPC1RAB9AALDH1A1L3MBTL1P2RX4 | |
| SCHEMBL28694270 | 0.76 | FNTA (0.46) | MAOBHPGDTDP1 | |
| SCHEMBL29010234 | 0.76 | CPB1 (0.42) | GABRA5NPC1RAB9AL3MBTL1P2RX4 |
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 |