Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28185543 | 0.83 | TSHR (0.42) | PTGS2IDO1RAB9AALDH1A1LMNA | |
| SCHEMBL28185578 | 0.83 | IDO1 (0.40) | PTGS2TDP1IDO1RAB9AALDH1A1 | |
| SCHEMBL28186260 | 0.83 | MAPT (0.45) | TDP1ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL28186234 | 0.81 | FBP1 (0.41) | TDP1ATMIDO1MAPTMEN1 | |
| SCHEMBL28185540 | 0.74 | NPC1 (0.40) | TDP1ATMIDO1RAB9AALDH1A1 | |
| SCHEMBL28185546 | 0.72 | SCN2A (0.44) | TDP1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL28186236 | 0.72 | MEN1 (0.40) | TDP1IDO1RAB9AALDH1A1LMNA | |
| SCHEMBL15779367 | 0.71 | TDP1 (0.42) | MAPK11MAPK14MAPK13MAPK12TDP1 | |
| SCHEMBL1738384 | 0.70 | MAPT (0.52) | MAPK11MAPK14MAPK13MAPK12TDP1 | |
| SCHEMBL15624163 | 0.69 | MAPK14 (0.54) | PTGS2MAPK11MAPK14MAPK13MAPK12 |
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-107382892-A | A kind of preparation technology of the nitro isoxazole compound of 3 aryl 4 | 贵州大学 | 2017-11-24 | — | — | CN | disclosed |