Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 6/20 | 0.38 |
| ▸ | PRKCA | P17252 | 4/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | BCR | P11274 | 5/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 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 | |
|---|---|---|---|---|
| SCHEMBL13638286 | 0.90 | ROCK2 (0.35) | HDAC8HDAC6HDAC1ROCK2CDK1 | |
| SCHEMBL14612808 | 0.89 | HDAC8 (0.44) | HDAC8HDAC6HDAC1ROCK2HDAC7 | |
| SCHEMBL14612851 | 0.87 | CDK5 (0.37) | HDAC8HDAC6HDAC1ROCK2ABL1 | |
| SCHEMBL3477790 | 0.87 | ROCK2 (0.45) | HDAC8HDAC6HDAC1ROCK2HDAC7 | |
| SCHEMBL13638302 | 0.86 | IKBKB (0.46) | HDAC8HDAC6CDK1CCNB1AKT3 | |
| SCHEMBL14612849 | 0.86 | IKBKB (0.35) | HDAC8CDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL13638420 | 0.86 | KDM4E (0.38) | RETPRKACACCNB2CDK1CCNB1 | |
| SCHEMBL14612878 | 0.86 | MKNK1 (0.44) | HDAC8JAK2MKNK2CCNE2CCNA2 | |
| SCHEMBL14612804 | 0.85 | MKNK1 (0.39) | HDAC8GSK3BMKNK2 | |
| SCHEMBL13638470 | 0.85 | CHEK1 (0.34) | HDAC8HDAC6HDAC1HDAC7HDAC9 |
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 |