Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | GLA | P06280 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL15522762 | 0.81 | MAP2K1 (0.44) | NPC1POLBKDM4EGLAGAA | |
| SCHEMBL28548425 | 0.80 | NPC1 (0.45) | NPC1POLBKDM4EGLAGAA | |
| SCHEMBL14541242 | 0.76 | CA12 (0.58) | NPC1POLBKDM4EGLAGAA | |
| SCHEMBL24758648 | 0.76 | ALDH1A1 (0.49) | NPC1KDM4EGAAALDH1A1RAB9A | |
| SCHEMBL30845314 | 0.76 | ALDH1A1 (0.49) | NPC1KDM4EGAAALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL5617709 | 0.74 | FLT3 (0.41) | NPC1POLBKDM4EGLAGAA | |
| SCHEMBL19142570 | 0.74 | KDM4E (0.51) | NPC1POLBKDM4EGAAALDH1A1 | |
| SCHEMBL6830693 | 0.73 | KDM4E (0.49) | NPC1POLBKDM4EGLAGAA | |
| SCHEMBL5917986 | 0.72 | MAPK14 (0.50) | NPC1POLBKDM4EGAAALDH1A1 | |
| SCHEMBL17307543 | 0.72 | CA12 (0.48) | NPC1POLBKDM4EGLAALDH1A1 |
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-109574945-B | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2021-04-20 | — | — | CN | disclosed |