Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.38 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6334650 | 0.91 | ALDH1A1 (0.44) | ALDH1A1KDM4EGLAGAAHDAC6 | |
| SCHEMBL6327259 | 0.89 | MTNR1A (0.44) | ALDH1A1HDAC6HDAC1GSK3AGSK3B | |
| SCHEMBL6448206 | 0.85 | AURKB (0.48) | ALDH1A1KDM4EGLAGAAPARP1 | |
| SCHEMBL6473156 | 0.80 | PARP1 (0.45) | ALDH1A1KDM4EGAAPARP1RECQL | |
| SCHEMBL5076368 | 0.80 | PARP1 (0.45) | PARP1KAT2B | |
| SCHEMBL5077387 | 0.79 | KAT2B (0.35) | ALDH1A1KDM4EHDAC6HDAC1PARP1 | |
| SCHEMBL6328281 | 0.78 | GAA (0.49) | ALDH1A1KDM4EGLAGAAMAPK1 | |
| SCHEMBL5076362 | 0.78 | PARP1 (0.45) | ALDH1A1KDM4EGSK3AGSK3BPARP1 | |
| SCHEMBL6333338 | 0.76 | LMNA (0.48) | ALDH1A1KDM4EGAAHDAC1MAPK1 | |
| SCHEMBL6330590 | 0.76 | TSHR (0.46) | ALDH1A1GAAHDAC1MAPK1 |
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-6924284-B2 | PARP inhibitors | ICOS CORPORATION (US) | 2005-08-02 | — | — | US | disclosed |