Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.47 |
| ▸ | IKBKB | O14920 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 3/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10432303 | 0.85 | PTPN1 (0.67) | PTPN1BRD4TDO2ALOX5ALOX5AP | |
| SCHEMBL10432522 | 0.84 | MAPK14 (0.51) | PTPN1BRD4TDO2ALOX5ALOX5AP | |
| SCHEMBL10432293 | 0.84 | PTPN1 (0.49) | PTPN1BRD4TDO2ALOX5ALOX5AP | |
| SCHEMBL19367734 | 0.75 | BRD4 (0.72) | BRD4TDO2IKBKBMLYCD | |
| SCHEMBL14072057 | 0.73 | BRD4 (0.59) | PTPN1BRD4TDO2IKBKBMEN1 | |
| SCHEMBL5591183 | 0.73 | IP6K1 (0.52) | PTPN1ALOX5ALOX5APMEN1NPC1 | |
| SCHEMBL10432374 | 0.73 | DUSP3 (0.60) | PTPN1TDO2IKBKBNPC1RAB9A | |
| SCHEMBL10432929 | 0.73 | DUSP3 (0.49) | PTPN1BRD4TDO2ALOX5ALOX5AP | |
| SCHEMBL9585523 | 0.72 | BRD4 (0.53) | BRD4TDO2MEN1NPC1POLB | |
| SCHEMBL1463375 | 0.71 | PTPN1 (0.67) | PTPN1BRD4MEN1KMT2ADUSP3 |
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-105777661-A | Preparation method of 5-(substituted benzimido)-4-substituted phenylisoxazole-3-carboxylic ethyl ester derivatives | 沈阳药科大学 | 2016-07-20 | — | — | CN | disclosed |