Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 5/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 5/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5255182 | 0.96 | ATR (0.40) | TLR9TLR7DHODHSCN9AMAPKAPK2 | |
| SCHEMBL5256363 | 0.88 | CHEK1 (0.47) | DHODHPIM1PIM3PIM2ACVR1 | |
| SCHEMBL5255275 | 0.85 | TLR9 (0.46) | TLR9TLR7DHODHACVR1TGFBR1 | |
| SCHEMBL5251237 | 0.85 | GNRHR (0.44) | DHODHALDH1A1ALDH1A2ALDH1A3KDM4E | |
| SCHEMBL5248611 | 0.84 | CHEK1 (0.44) | DHODHPIM1PIM3PIM2ALDH1A1 | |
| SCHEMBL5073335 | 0.84 | DHODH (0.53) | TLR9TLR7DHODHSCN9AMAPKAPK2 | |
| SCHEMBL5250582 | 0.83 | DRD2 (0.45) | DHODH | |
| SCHEMBL5329494 | 0.82 | DRD4 (0.43) | DHODHALDH1A1KDM4ETSHR | |
| SCHEMBL5254502 | 0.82 | HRH3 (0.50) | ALDH1A1KDM4E | |
| SCHEMBL5251170 | 0.82 | DRD2 (0.47) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1257551-B1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2007-09-05 | — | — | EP | disclosed |