Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12489603 | 0.82 | ALDH1A1 (0.83) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL8759331 | 0.79 | ALDH1A1 (0.58) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL8176332 | 0.79 | ALDH1A1 (0.58) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL23198145 | 0.77 | CA12 (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL1047461 | 0.76 | ALDH1A1 (0.65) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL27882659 | 0.75 | CYP2A6 (0.58) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL27882662 | 0.75 | NPSR1 (0.44) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL30121160 | 0.75 | ALDH1A1 (0.90) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL673353 | 0.75 | MAPK1 (0.71) | ALDH1A1MAPK1RAB9ANPC1TP53 | |
| SCHEMBL3778039 | 0.75 | ALDH1A1 (0.90) | ALDH1A1MAPK1RAB9ANPC1TP53 |
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-101277740-B | Antituberculous composition comprising azole compound | OTSUKA PHARMA CO LTD | 2012-12-05 | — | — | CN | disclosed |