Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.61 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10013048 | 0.86 | HPGD (0.58) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL11389222 | 0.81 | NPC1 (0.61) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL28568102 | 0.80 | NPC1 (0.49) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL27971318 | 0.79 | NPC1 (0.59) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL24349073 | 0.76 | ANO1 (1.00) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL24349093 | 0.76 | NPC1 (0.71) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL10898999 | 0.76 | TDP1 (0.55) | NPC1RAB9ASMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL24349080 | 0.75 | ANO1 (1.00) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL24349079 | 0.75 | ANO1 (1.00) | NPC1RAB9AANO1ANO2SMN1; SMN2 | |
| SCHEMBL24349545 | 0.74 | ANO1 (0.68) | NPC1RAB9AANO1ANO2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898222-B | Oxadiazole compound and preparation method and application thereof | 长沙理工大学 | 2022-09-13 | — | — | CN | disclosed |
| CN-112898222-A | Oxadiazole compound and preparation method and application thereof | 长沙理工大学 | 2021-06-04 | — | — | CN | disclosed |