Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19630103 | 0.79 | BRD4 (0.36) | BRD4ATAD2ALDH1A1GAABMPR1B | |
| SCHEMBL19616460 | 0.79 | BRD4 (0.36) | BRD4ATAD2ALDH1A1GAABMPR1B | |
| SCHEMBL19630005 | 0.79 | BMPR1B (0.41) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL5001527 | 0.78 | CHRM1 (0.39) | BRD4ALDH1A1GAABMPR1BBMPR1A | |
| SCHEMBL31528058 | 0.75 | HSP90B1 (0.35) | GSK3BHSP90B1TRAP1P2RX7 | |
| SCHEMBL27655589 | 0.74 | HTR1A (0.39) | BRD4ALDH1A1GAABMPR1BBMPR1A | |
| SCHEMBL4997606 | 0.73 | ATAD2 (0.44) | BRD4ATAD2ALDH1A1GAABMPR1B | |
| SCHEMBL19630025 | 0.70 | PARK7 (0.50) | ALDH1A1USP2 | |
| SCHEMBL31528064 | 0.70 | HSP90B1 (0.34) | GSK3BHSP90B1TRAP1 | |
| SCHEMBL27655359 | 0.69 | BRD4 (0.37) | BRD4ATAD2ALDH1A1GAABMPR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017199265-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION | BUGWORKS RESEARCH INDIA PVT LTD (IN) | 2017-11-23 | — | — | WO | disclosed |