Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MLYCD | O95822 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28069486 | 0.83 | PTPN1 (0.49) | ALDH1A1MLYCDIKBKBPTPN1KMT2A | |
| SCHEMBL10432303 | 0.81 | PTPN1 (0.67) | ALDH1A1MAPTMLYCDPTGS1IKBKB | |
| SCHEMBL10432522 | 0.80 | MAPK14 (0.51) | MLYCDPTPN1 | |
| SCHEMBL10432293 | 0.80 | PTPN1 (0.49) | PTGS1IKBKBPTPN1 | |
| SCHEMBL7857274 | 0.76 | BRD4 (0.64) | ALDH1A1MAPTHPGDMLYCDHSP90AA1 | |
| SCHEMBL10778394 | 0.75 | HEXA (0.58) | ALDH1A1IKBKBPRKAG1PRKAA1PRKAB1 | |
| SCHEMBL18662466 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDRECQLPTGS2 | |
| SCHEMBL10776056 | 0.73 | PRKAG1 (0.49) | ALDH1A1MAPTHPGDRECQLIKBKB | |
| SCHEMBL10772902 | 0.72 | PRKAG1 (0.48) | ALDH1A1MAPTHPGDRECQLIKBKB | |
| SCHEMBL5322861 | 0.72 | HSP90AA1 (0.74) | HSP90AA1 |
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 |