Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.54 |
| ▸ | NPC1 | O15118 | 8/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14818742 | 0.85 | MAPT (0.58) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL1544710 | 0.83 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL30098423 | 0.81 | MAPT (0.50) | SMN1; SMN2NPC1RAB9AMAPTCYP1A2 | |
| SCHEMBL9321473 | 0.81 | MAPT (0.50) | SMN1; SMN2NPC1RAB9AMAPTCYP1A2 | |
| SCHEMBL17482288 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL6041725 | 0.80 | ATM (0.58) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL30098388 | 0.80 | ATM (0.58) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL28869666 | 0.80 | NPC1 (0.50) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL30098391 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL6042179 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093377-A | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | claimed |
| CN-115093377-B | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115093377-A | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |