Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2892473 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HPGDPOLBCTNNB1WNT3A | |
| SCHEMBL27264992 | 0.76 | GSTA1 (0.45) | NPC1RAB9ATDP1CYP3A4LMNA | |
| SCHEMBL29515031 | 0.75 | KMT2A (0.52) | ESR1ESR2NPC1RAB9ATAS1R3 | |
| SCHEMBL310386 | 0.75 | KMT2A (0.52) | ESR1ESR2NPC1RAB9ATAS1R3 | |
| SCHEMBL31257139 | 0.75 | ESR1 (0.38) | ESR1ESR2NPC1RAB9ATAS1R3 | |
| SCHEMBL11049910 | 0.75 | ESR1 (0.38) | ESR1ESR2NPC1RAB9ATAS1R3 | |
| Benzene SCHEMBL27738764 | 0.73 | KMT2A (0.55) | ESR1ESR2NPC1RAB9ATAS1R3 | |
| Hydrogen Sulfide SCHEMBL11219494 | 0.71 | — | — | |
| SCHEMBL256813 | 0.71 | CTNNB1 (0.60) | NPC1RAB9AKMT2ALMNANAPRT | |
| SCHEMBL109890 | 0.70 | CYP3A4 (0.52) | ESR1ESR2NPC1RAB9ATDP1 |
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-113429446-A | Isoxazole derivative containing xylose triazole structure and preparation method and application thereof | 绍兴文理学院元培学院 | 2021-09-24 | — | — | CN | disclosed |