Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615403 | 0.81 | KEAP1 (0.64) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL28067054 | 0.79 | SCN4A (0.56) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL27927769 | 0.79 | KEAP1 (0.68) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL27545011 | 0.78 | KMT2A (0.65) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL28127681 | 0.75 | NPC1 (0.49) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL28067066 | 0.75 | KIF11 (0.44) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL3718525 | 0.71 | KEAP1 (0.43) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL3447669 | 0.71 | KMT2A (0.48) | RAB9ANPC1KEAP1ALDH1A1KDM4E | |
| SCHEMBL9040439 | 0.69 | SCN9A (0.51) | RAB9ANPC1KDM4EKMT2AHPGD | |
| SCHEMBL554497 | 0.69 | KMT2A (0.55) | RAB9ANPC1KDM4EKMT2AGAA |
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-106008390-A | Derivative containing 1,3,4-oxdiazole sulfenyl acetamide, preparation method and application thereof | 贵州大学 | 2016-10-12 | — | — | CN | disclosed |
| CN-105949181-A | 4-hydroxyl pyrroline-2-ketone derivative containing 1,3,4-oxadiazole and preparation method and application of 4-hydroxyl pyrroline-2-ketone derivative | 贵州大学 | 2016-09-21 | — | — | CN | disclosed |