Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27569703 | 1.00 | NPC1 (0.65) | NPC1RAB9ACYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL13970944 | 0.79 | NPC1 (0.58) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28026041 | 0.78 | NPC1 (0.49) | NPC1RAB9ACYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL12450336 | 0.77 | NPC1 (0.47) | NPC1RAB9ACYP1A2KDM4ECYP2C9 | |
| SCHEMBL4059081 | 0.76 | CYP1A2 (0.57) | NPC1RAB9ACYP1A2ALDH1A1KDM4E | |
| SCHEMBL2409954 | 0.75 | MDM2 (0.49) | NPC1RAB9ACYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL139209 | 0.74 | MDM2 (0.51) | NPC1RAB9ACYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL27402049 | 0.74 | MDM2 (0.45) | NPC1RAB9ACYP1A2KDM4ECYP2C9 | |
| SCHEMBL2455118 | 0.73 | NPC1 (0.51) | NPC1RAB9ANPSR1MAPTMEN1 | |
| SCHEMBL2456077 | 0.73 | NPC1 (0.51) | NPC1RAB9ACYP1A2ALDH1A1KDM4E |
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-112028852-B | 3-acyl isoxazole compound and preparation method thereof | 常州工程职业技术学院 | 2022-07-26 | — | — | CN | disclosed |