Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 5/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL485866 | 1.00 | PIK3CA (0.39) | PIK3CAMTORTGFBR1TGFBR2NAMPT | |
| SCHEMBL486118 | 0.95 | PIK3CA (0.42) | PIK3CAMTORHDAC3CHRNA7KCNH2 | |
| SCHEMBL485808 | 0.95 | TGFBR1 (0.40) | TGFBR1TGFBR2NAMPTHDAC4HDAC1 | |
| SCHEMBL486119 | 0.95 | PIK3CA (0.42) | PIK3CAMTORHDAC3CHRNA7KCNH2 | |
| SCHEMBL485807 | 0.95 | TGFBR1 (0.40) | TGFBR1TGFBR2NAMPTHDAC4HDAC1 | |
| SCHEMBL3060362 | 0.84 | KIT (0.45) | PIK3CAMTORKCNH2KITMCHR1 | |
| SCHEMBL3040050 | 0.84 | NAMPT (0.48) | NAMPTCHRNA7 | |
| SCHEMBL3040053 | 0.84 | NAMPT (0.48) | NAMPTCHRNA7 | |
| SCHEMBL3060366 | 0.84 | KIT (0.45) | PIK3CAMTORKCNH2KITMCHR1 | |
| SCHEMBL486103 | 0.83 | KIT (0.48) | PIK3CAMTORKCNH2KITMAP4K4 |
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-2411368-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS | SANOFI (FR) | 2012-02-01 | — | — | EP | claimed |
| WO-2010109122-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS | SANOFI-AVENTIS (FR) | 2010-09-30 | — | — | WO | claimed |