Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | INSR | P06213 | 3/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL2088260 | 0.86 | BACE1 (0.50) | BACE1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL13963588 | 0.80 | BACE1 (0.62) | BACE1AXLINSR | |
| SCHEMBL12780837 | 0.74 | BACE1 (0.67) | BACE1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL12779066 | 0.74 | BACE1 (0.63) | BACE1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL12781025 | 0.73 | CA2 (0.51) | BACE1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL12780866 | 0.72 | BACE1 (0.64) | BACE1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4039312 | 0.71 | FLT3 (0.62) | BACE1SMN1; SMN2SCN9AAXLL3MBTL1 | |
| SCHEMBL12781140 | 0.71 | BACE1 (0.53) | BACE1AXLFLT3IKBKB | |
| SCHEMBL12781085 | 0.70 | BACE1 (0.53) | BACE1AXLIKBKB | |
| SCHEMBL12780898 | 0.70 | BACE1 (0.62) | BACE1NPC1MAPTRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |