Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.73 |
| ▸ | RAB9A | P51151 | 5/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.61 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GUSB | P08236 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29006444 | 1.00 | NPC1 (0.73) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL10245542 | 0.84 | NPC1 (1.00) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28372775 | 0.82 | NPC1 (0.73) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2837185 | 0.82 | RAB9A (0.73) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4607599 | 0.82 | RAB9A (0.73) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL6600158 | 0.81 | MAPT (0.60) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL656666 | 0.81 | NPC1 (0.76) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL3757160 | 0.81 | RAB9A (0.76) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL14557097 | 0.80 | NPC1 (0.48) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL9029579 | 0.79 | NPC1 (0.69) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 |
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-113582983-B | 1,3,4-oxadiazole thioether myricetin derivative, preparation method and application | 贵州大学 | 2023-04-18 | — | — | CN | disclosed |