Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27560765 | 0.83 | MTNR1A (0.45) | NPC1RAB9AKMT2ATDP1CYP1A2 | |
| SCHEMBL29853 | 0.77 | NPC1 (0.54) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL22556234 | 0.77 | ALDH1A1 (0.35) | CYP2D6 | |
| SCHEMBL28625785 | 0.75 | IDO1 (0.50) | NPC1RAB9AMEN1KMT2ACYP2C19 | |
| SCHEMBL9641021 | 0.75 | ALDH1A1 (0.61) | SLC1A3SLC1A2SLC1A1ATMMEN1 | |
| SCHEMBL7996941 | 0.74 | MEN1 (0.46) | SLC1A3SLC1A2SLC1A1ATMMEN1 | |
| SCHEMBL8644133 | 0.73 | MTNR1A (0.68) | SLC1A3SLC1A2SLC1A1ATMMEN1 | |
| SCHEMBL31012122 | 0.73 | CYP1A2 (0.56) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL4850585 | 0.73 | CYP1A2 (0.56) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL406430 | 0.73 | CA2 (0.54) | MEN1KMT2ATDP1CYP1A2CYP2C19 |
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-114262282-B | Aldoxime compound and preparation method and application thereof | 广东省科学院资源利用与稀土开发研究所 | 2024-04-19 | — | — | CN | disclosed |