Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | MAP2 | P11137 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2283018 | 0.83 | NPC1 (0.44) | BCAT2PARP1NPC1SIRT1AURKA | |
| SCHEMBL7680894 | 0.79 | BCAT2 (0.50) | BCAT2PARP1KEAP1NFE2L2NPC1 | |
| SCHEMBL2487391 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL21801994 | 0.73 | — | — | |
| SCHEMBL2789494 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL5335642 | 0.73 | CHEK2 (0.40) | BCAT2DHODHAURKA | |
| SCHEMBL27214460 | 0.73 | BCAT2 (0.63) | BCAT2PARP1KEAP1NFE2L2DHODH | |
| SCHEMBL7676034 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL379430 | 0.70 | HTR6 (0.51) | PARP1NPC1 | |
| SCHEMBL7680897 | 0.70 | ALDH1A1 (0.51) | BCAT2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6369088-B2 | ANTIDIABETIC AGENTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-04-09 | — | — | US | disclosed |