Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.58 |
| ▸ | IKBKB | O14920 | 9/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 5/20 | 0.45 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.45 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.42 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.42 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30034930 | 0.85 | BCAT2 (0.69) | BCAT2IKBKBBRD4SIRT2SIRT1 | |
| SCHEMBL530285 | 0.85 | BCAT2 (0.69) | BCAT2IKBKBBRD4SIRT2SIRT1 | |
| SCHEMBL27539945 | 0.85 | MCL1 (0.49) | BCAT2MCL1PDCD1CD274 | |
| SCHEMBL27966238 | 0.80 | IKBKB (0.54) | BCAT2IKBKBBRD4CHUKIKBKE | |
| SCHEMBL6887769 | 0.80 | BCAT2 (0.56) | BCAT2IKBKBBRD4CHUKIKBKE | |
| SCHEMBL6307908 | 0.79 | BCAT2 (0.65) | BCAT2IKBKBBRD4SIRT2SIRT1 | |
| SCHEMBL3898825 | 0.78 | BCAT2 (0.58) | BCAT2IKBKBBRD4CHUKIKBKE | |
| Trifluoroacetic Acid SCHEMBL1785126 | 0.77 | BCAT2 (0.57) | BCAT2IKBKBBRD4NPC1RAB9A | |
| SCHEMBL17829925 | 0.76 | BCAT2 (0.56) | BCAT2IKBKBBRD4CHUKIKBKE | |
| SCHEMBL6667275 | 0.75 | BCAT2 (0.65) | BCAT2BRD4NPC1RAB9A |
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-0922702-A1 | Azulene derivatives and pharmaceutical compositions containing them | Roche Diagnostics GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |