Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 5/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 3/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 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 | |
|---|---|---|---|---|
| SCHEMBL5248183 | 0.96 | TLR9 (0.42) | TLR9TLR7SCN9ADHODHMAPKAPK2 | |
| SCHEMBL5073422 | 0.85 | DHODH (0.49) | ATRDHODHMAPKAPK2CREBBPCHRNB2 | |
| SCHEMBL5248611 | 0.85 | CHEK1 (0.44) | DHODHCREBBPPIM1PIM3PIM2 | |
| SCHEMBL5256363 | 0.84 | CHEK1 (0.47) | DHODHPIM1PIM3PIM2ACVR1 | |
| SCHEMBL5255275 | 0.82 | TLR9 (0.46) | TLR9TLR7DHODHACVR1TGFBR1 | |
| SCHEMBL5251237 | 0.82 | GNRHR (0.44) | DHODHALDH1A2ALDH1A1ALDH1A3 | |
| SCHEMBL5073335 | 0.81 | DHODH (0.53) | TLR9TLR7SCN9ADHODHMAPKAPK2 | |
| SCHEMBL5300289 | 0.80 | DGAT1 (0.42) | DHODHALDH1A1PARP1 | |
| SCHEMBL5250582 | 0.80 | DRD2 (0.45) | DHODH | |
| SCHEMBL5253308 | 0.79 | HRH3 (0.45) | CREBBP |
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 |