Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6671405 | 0.85 | HSP90AA1 (0.40) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL7014636 | 0.83 | RAB9A (0.38) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL7015761 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL6672009 | 0.78 | HSP90AA1 (0.39) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL6672675 | 0.78 | NR1H4 (0.40) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL7007040 | 0.77 | PDE1B (0.45) | RAB9ANR1H4NPC1 | |
| SCHEMBL7483549 | 0.76 | HSP90AA1 (0.44) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL6672645 | 0.72 | HSP90AA1 (0.42) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL7015592 | 0.72 | HSP90AA1 (0.40) | ALDH1A1HTTRAB9AHSP90AA1NR1H4 | |
| SCHEMBL6672672 | 0.72 | NR1H4 (0.34) | HSP90AA1NR1H4NPC1MAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1301493-A2 | HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-04-16 | — | — | EP | claimed |
| WO-2002004444-A2 | HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-01-17 | — | — | WO | claimed |