Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650459 | 0.84 | GSK3B (0.36) | PARP1NAMPTGPR119 | |
| SCHEMBL22650844 | 0.77 | PARP1 (0.54) | PARP1NAMPTMERTKCKS1BSKP1 | |
| SCHEMBL22650456 | 0.76 | GABRP (0.48) | PARP1ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL7406307 | 0.75 | GABRP (0.45) | ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL27446567 | 0.74 | MET (0.38) | PARP1ALDH1A1KMT2A | |
| SCHEMBL28085713 | 0.71 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL6469040 | 0.71 | LCK (0.46) | CA12CA1CA9 | |
| SCHEMBL30050758 | 0.71 | SYK (0.39) | ALDH1A1MAPTL3MBTL1KMT2A | |
| SCHEMBL28962429 | 0.71 | SYK (0.39) | ALDH1A1MAPTL3MBTL1KMT2A | |
| SCHEMBL21584977 | 0.70 | LCK (0.42) | NPC1RAB9ACA1CA2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |