Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8575841 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EL3MBTL1TDP1 | |
| SCHEMBL11871660 | 0.73 | NPC1 (0.42) | ALDH1A1MAPTKDM4EGAAPOLB | |
| SCHEMBL5317690 | 0.68 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTKDM4EGAA | |
| SCHEMBL5059081 | 0.67 | MAPT (0.55) | ALDH1A1TSHRMAPTGAAKMT2A | |
| SCHEMBL13884590 | 0.67 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTKDM4EL3MBTL1 | |
| SCHEMBL25107471 | 0.67 | MAPT (0.38) | ALDH1A1MAPTKDM4EL3MBTL1KMT2A | |
| SCHEMBL316956 | 0.66 | ALDH1A1 (0.69) | ALDH1A1TSHRMAPTGAATDP1 | |
| SCHEMBL10919254 | 0.66 | NPC1 (0.47) | ALDH1A1MAPTKDM4EL3MBTL1POLB | |
| SCHEMBL5429814 | 0.66 | SMN1; SMN2 (0.40) | ALDH1A1TSHRMAPTKDM4EGAA | |
| SCHEMBL11270791 | 0.65 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTKMT2AMEN1 |
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-108997403-A | A kind of different two azole compounds of fluorine boron and its preparation method and purposes | 南京大学 | 2018-12-14 | — | — | CN | disclosed |