Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 5/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.35 |
| ▸ | CDK4 | P11802 | 4/20 | 0.35 |
| ▸ | CCND1 | P24385 | 4/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.35 |
| ▸ | FLT3 | P36888 | 3/20 | 0.34 |
| ▸ | AXL | P30530 | 3/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.34 |
| ▸ | MERTK | Q12866 | 3/20 | 0.34 |
| ▸ | GAS6 | Q14393 | 2/20 | 0.34 |
| ▸ | GPR39 | O43194 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 4/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14612854 | 0.88 | IKBKB (0.42) | CDK1CCNB1CDK4CCND1CCNA2 | |
| SCHEMBL13638428 | 0.86 | CDK4 (0.42) | KDM4ENPC1GLARAB9ACDK1 | |
| SCHEMBL13638501 | 0.86 | HDAC8 (0.41) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL13638286 | 0.86 | ROCK2 (0.35) | CDK1CCNB1CDK4CCND1CCNA2 | |
| SCHEMBL13638454 | 0.86 | CDK4 (0.36) | CDK1CCNB1CDK4CCND1CCNA2 | |
| SCHEMBL14612785 | 0.86 | IKBKB (0.37) | MAPTCDK1CCNB1CDK4CCND1 | |
| SCHEMBL3477653 | 0.85 | KCNH2 (0.43) | KDM4ENPC1GLAMAPTRAB9A | |
| SCHEMBL14612805 | 0.85 | APP (0.39) | CDK1CCNB1CDK4CCND1CCNA2 | |
| SCHEMBL14612849 | 0.84 | IKBKB (0.35) | CDK1CCNB1CDK4CCND1CCNA2 | |
| SCHEMBL13638302 | 0.84 | IKBKB (0.46) | CDK1CCNB1CDK4CCND1CCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |