Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6254259 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6256632 | 0.80 | ADORA1 (0.52) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6256216 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6254870 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6255393 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6255281 | 0.79 | ADORA1 (0.50) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6259513 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6256654 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL6255123 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HPGDTDP1HTTLMNA | |
| SCHEMBL4105230 | 0.76 | ALDH1A1 (0.57) | ALDH1A1HPGDTDP1HTTLMNA |
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-2005058315-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS IKK2 INHIBITORS WITH ANTI-HBV ACTIVITY | RIBAPHARM, INC. (US) | 2005-06-30 | — | — | WO | disclosed |