Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.72 |
| ▸ | RAB9A | P51151 | 6/20 | 0.72 |
| ▸ | MAPT | P10636 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ELANE | P08246 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493720 | 0.92 | NPC1 (0.68) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL10245542 | 0.84 | NPC1 (1.00) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28502264 | 0.78 | NPC1 (0.61) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28372775 | 0.76 | NPC1 (0.73) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL29006444 | 0.76 | NPC1 (0.73) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL30362152 | 0.76 | NPC1 (0.73) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4607599 | 0.76 | RAB9A (0.73) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL2837185 | 0.76 | RAB9A (0.73) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL656666 | 0.75 | NPC1 (0.76) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL3757160 | 0.75 | RAB9A (0.76) | NPC1RAB9AMAPTALDH1A1SMN1; 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-107056727-B | 2-aryl-5-arylseleno-1, 3, 4-oxadiazole compound and preparation method thereof | 温州医科大学 | 2020-12-11 | — | — | CN | disclosed |