Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PI4KA | P42356 | 2/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.43 |
| ▸ | PNP | P00491 | 1/20 | 0.42 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21335009 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL15367225 | 0.76 | ALDH1A1 (0.48) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL23790560 | 0.76 | ALDH1A1 (0.48) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL9203151 | 0.74 | ALDH1A1 (0.47) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL23771325 | 0.73 | ALDH1A1 (0.50) | ALDH1A1LRRK2LMNAXDHPDPK1 | |
| SCHEMBL9241287 | 0.71 | ALDH1A1 (0.42) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21334364 | 0.69 | ALDH1A1 (0.41) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2563730 | 0.69 | ADORA3 (0.51) | ALDH1A1LMNAHSD17B10BRD4 | |
| SCHEMBL6581871 | 0.68 | PRKCI (0.41) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL7108989 | 0.67 | PI4KA (0.50) | ALDH1A1PI4KAPI4K2BPI4K2API4KB |
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-3071553-A1 | SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS | PTC Therapeutics, Inc. (US) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015076800-A1 | SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS | PTC THERAPEUTICS, INC. (US) | 2015-05-28 | — | — | WO | disclosed |