Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27670398 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1GPR119 | |
| SCHEMBL2409983 | 0.87 | GPR119 (0.51) | ALDH1A1GPR119NAMPTPRKD3MAP4K4 | |
| SCHEMBL2409985 | 0.87 | GPR119 (0.51) | ALDH1A1GPR119NAMPTPRKD3MAP4K4 | |
| SCHEMBL27785053 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10TDP1GPR119 | |
| SCHEMBL4833816 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10NAMPTPRKD3 | |
| SCHEMBL14155927 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHSD17B10NAMPTPRKD3 | |
| SCHEMBL28879095 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10TDP1GPR119 | |
| SCHEMBL382516 | 0.79 | PRKD3 (0.56) | ALDH1A1TSHRTDP1PRKD3MAP4K4 | |
| SCHEMBL383362 | 0.79 | PRKD3 (0.56) | ALDH1A1TSHRTDP1PRKD3MAP4K4 | |
| SCHEMBL5207933 | 0.79 | GPR119 (0.56) | ALDH1A1GPR119MAPTUSP2SMYD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679239-B | Inhibitors of histone deacetylase | METHYLGENE INC | 2014-12-10 | — | — | CN | disclosed |
| CN-1997649-B | Inhibitors of histone deacetylase | METHYLGENE INC | 2010-08-11 | — | — | CN | disclosed |
| CN-101679239-A | inhibitors of histone deacetylase | METHYLGENE INC | 2010-03-24 | — | — | CN | disclosed |
| CN-1997649-A | Inhibitors of histone deacetylase | METHYLGENE INC (CA) | 2007-07-11 | — | — | CN | disclosed |