Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 4/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15713559 | 0.82 | F2RL3 (0.42) | NPC1RAB9AS100A4GAAF2RL3 | |
| SCHEMBL29020409 | 0.78 | S100A4 (0.35) | NPC1RAB9AS100A4GAAPTPRC | |
| SCHEMBL26123335 | 0.78 | JMJD6 (0.40) | NPC1RAB9AGAAF2RL3TDP1 | |
| SCHEMBL6366701 | 0.76 | ALDH1A1 (0.49) | NPC1RAB9AS100A4GAAF2RL3 | |
| SCHEMBL29976453 | 0.76 | ALDH1A1 (0.49) | NPC1RAB9AS100A4GAAF2RL3 | |
| SCHEMBL29134271 | 0.71 | HSPB1 (0.39) | NPC1RAB9AS100A4PTPRCTDP1 | |
| SCHEMBL29020417 | 0.69 | TSHR (0.43) | NPC1RAB9AGAATDP1HSPB1 | |
| SCHEMBL26120840 | 0.69 | ERN1 (0.40) | — | |
| SCHEMBL24497697 | 0.69 | TYK2 (0.39) | TYK2CYP3A4KMT2AJAK1 | |
| SCHEMBL29162256 | 0.68 | MAPK14 (0.33) | S100A4PTPRCHSPB1ALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283954-A | Hydroxamate compound, preparation method and application thereof | 深圳微芯生物科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-114901656-B | Hydroximic acid ester compound, preparation method and application thereof | 深圳微芯生物科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |