Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL28185540 | 0.81 | NPC1 (0.40) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL28186239 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL28186243 | 0.78 | EIF4E (0.38) | ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL7918730 | 0.77 | ABCC1 (0.49) | ALDH1A1MAPTKMT2ANPC1ABCB1 | |
| SCHEMBL28185578 | 0.74 | IDO1 (0.40) | ALDH1A1MAPTKMT2ANPC1ABCB1 | |
| SCHEMBL28186236 | 0.73 | MEN1 (0.40) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL7695295 | 0.72 | ALDH1A1 (0.59) | ALDH1A1MAPTKMT2ANPC1ABCB1 | |
| SCHEMBL30825494 | 0.71 | RAB9A (0.41) | ALDH1A1MAPTNPC1RAB9AL3MBTL1 | |
| SCHEMBL6322672 | 0.70 | MAPT (0.44) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL28241457 | 0.70 | MEN1 (0.47) | ALDH1A1MAPTKMT2ANPC1RAB9A |
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 |