Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 5/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL721038 | 0.93 | MEN1 (0.41) | KITPIK3CAMTOREPHX2ADRA2A | |
| SCHEMBL485908 | 0.92 | PIK3CA (0.41) | KITPIK3CAMTOREPHX2KCNH2 | |
| SCHEMBL485903 | 0.92 | PIK3CA (0.41) | KITPIK3CAMTOREPHX2KCNH2 | |
| SCHEMBL485853 | 0.92 | PIK3CA (0.41) | KITPIK3CAMTOREPHX2KCNH2 | |
| SCHEMBL486339 | 0.91 | KIT (0.43) | KITPIK3CAMTOREPHX2ADRA2A | |
| SCHEMBL486093 | 0.89 | PIK3CA (0.39) | KITPIK3CAMTOREPHX2KCNH2 | |
| SCHEMBL485940 | 0.88 | KCNH2 (0.41) | KITPIK3CAMTORADRA2AADRA2B | |
| SCHEMBL485905 | 0.88 | KCNH2 (0.42) | KITPIK3CAMTORADRA2AADRA2B | |
| SCHEMBL486443 | 0.87 | PIK3CA (0.41) | KITPIK3CAMTOR | |
| SCHEMBL486083 | 0.86 | MTOR (0.40) | PIK3CAMTOR |
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 |