Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6257522 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6254870 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6269263 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6269268 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6252921 | 0.83 | MAPT (0.46) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6252930 | 0.83 | MAPT (0.46) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6254259 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6253768 | 0.82 | MAPT (0.46) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6253776 | 0.82 | MAPT (0.46) | ALDH1A1HPGDTDP1HTTNPSR1 | |
| SCHEMBL6255281 | 0.78 | ADORA1 (0.50) | ALDH1A1HPGDTDP1HTTNPSR1 |
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 |