Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.34 |
| ▸ | PDE1A | P54750 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 5/20 | 0.33 |
| ▸ | CASP1 | P29466 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CASP7 | P55210 | 4/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28765661 | 0.87 | GRM2 (0.36) | ALDH1A1HIF1AMEN1KMT2ATSHR | |
| SCHEMBL27667135 | 0.87 | GRIN2B (0.42) | ALDH1A1GRIN2BNTRK1LMNA | |
| SCHEMBL27686172 | 0.86 | GRIN2B (0.40) | GRIN2B | |
| SCHEMBL27667098 | 0.85 | GRIN2B (0.39) | GRIN2B | |
| SCHEMBL27667115 | 0.81 | OPRM1 (0.35) | USP2CASP1ALDH1A1CASP7HIF1A | |
| SCHEMBL27667119 | 0.80 | GRIN2B (0.44) | ALDH1A1GRIN2BNTRK1LMNA | |
| SCHEMBL27666972 | 0.79 | NTRK1 (0.36) | ALDH1A1HPGDHSD17B10GRM2MAPK1 | |
| SCHEMBL27686188 | 0.79 | GRIN1 (0.40) | ALDH1A1HPGDRECQLGRM2GRIN2B | |
| SCHEMBL27686159 | 0.78 | CNR2 (0.34) | GRM2CNR2CNR1 | |
| SCHEMBL27686211 | 0.76 | STAT6 (0.39) | PIK3CAUSP2CASP1CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | disclosed |