Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 8/20 | 0.38 |
| ▸ | MTOR | P42345 | 8/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL486122 | 0.97 | PIK3CA (0.39) | PIK3CAMTORTGFBR1TGFBR2TMEM97 | |
| SCHEMBL486443 | 0.92 | PIK3CA (0.41) | PIK3CAMTORTGFBR1CCNT1CCNA2 | |
| SCHEMBL485853 | 0.91 | PIK3CA (0.41) | PIK3CAMTORKIT | |
| SCHEMBL485903 | 0.90 | PIK3CA (0.41) | PIK3CAMTORCCNT1CCNA2CDK2 | |
| SCHEMBL485908 | 0.90 | PIK3CA (0.41) | PIK3CAMTORCCNT1CCNA2CDK2 | |
| SCHEMBL486537 | 0.90 | ALOX5AP (0.41) | MTORALOX5APFEN1MAPK1 | |
| SCHEMBL486083 | 0.89 | MTOR (0.40) | PIK3CAMTORENPP2MAPK1 | |
| SCHEMBL486010 | 0.89 | MTOR (0.48) | PIK3CAMTORCCNT1CCNA2CDK2 | |
| SCHEMBL486093 | 0.89 | PIK3CA (0.39) | PIK3CAMTORKITMAPK1 | |
| SCHEMBL485926 | 0.89 | PIK3CA (0.39) | PIK3CAMTORCCNT1CCNA2CDK2 |
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 |