Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 5/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4186047 | 0.77 | PARP1 (0.41) | LRRK2PARP1PARP2ACVR1PIK3CA | |
| SCHEMBL3726227 | 0.72 | PARP1 (0.39) | PARP1PARP2ACVR1PIK3CAPIK3CD | |
| SCHEMBL25833013 | 0.68 | SCN4A (0.45) | LRRK2 | |
| SCHEMBL3717465 | 0.67 | DRD2 (0.41) | PARP1PARP2TGFBR1ACVR1PIK3CA | |
| SCHEMBL3659202 | 0.66 | ABL1 (0.45) | PARP1PARP2TGFBR1PIK3CAPIK3CD | |
| SCHEMBL3717439 | 0.65 | DRD2 (0.42) | LRRK2PARP1PARP2TGFBR1ACVR1 | |
| SCHEMBL13743307 | 0.65 | PIK3CD (0.46) | PARP1PARP2TGFBR1ACVR1PIK3CA | |
| SCHEMBL3662134 | 0.64 | PIK3CD (0.45) | PARP1PARP2PIK3CAPIK3CDPIK3R1 | |
| SCHEMBL3066932 | 0.64 | HRH3 (0.57) | — | |
| SCHEMBL3057408 | 0.63 | CDK6 (0.49) | PARP1PARP2CDK1CDK4CCNB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2242742-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009087212-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2009-07-16 | — | — | WO | disclosed |