Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 7/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL6323949 | 0.89 | ALDH1A1 (0.44) | PARP1ALDH1A1MAPK1KAT2BHDAC1 | |
| SCHEMBL6473156 | 0.82 | PARP1 (0.45) | PARP1L3MBTL1ALDH1A1KAT2BTSHR | |
| SCHEMBL5076368 | 0.82 | PARP1 (0.45) | PARP1KAT2B | |
| SCHEMBL5077387 | 0.81 | KAT2B (0.35) | PARP1ALDH1A1MAPK1KAT2BHDAC1 | |
| SCHEMBL5076362 | 0.80 | PARP1 (0.45) | PARP1ALDH1A1MAPK1KAT2BAURKB | |
| SCHEMBL6334650 | 0.80 | ALDH1A1 (0.44) | MTNR1AL3MBTL1ALDH1A1MAPK1KAT2B | |
| SCHEMBL6326353 | 0.77 | EPHX2 (0.41) | MAPK1AURKB | |
| SCHEMBL6328281 | 0.76 | GAA (0.49) | ALDH1A1MAPK1 | |
| SCHEMBL5074298 | 0.75 | MEN1 (0.35) | PARP1MAPK1CYP1A2AURKB | |
| SCHEMBL6333338 | 0.72 | LMNA (0.48) | ALDH1A1MAPK1HDAC1TSHRCYP1A2 |
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 |