Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28941559 | 0.73 | PDE10A (0.44) | PKMALDH1A1SPHK2SPHK1ADORA3 | |
| SCHEMBL28084853 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL19301729 | 0.68 | PDE10A (0.36) | SPHK2SPHK1ADORA3ADORA2AADORA1 | |
| SCHEMBL28076213 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL3298758 | 0.66 | — | — | |
| SCHEMBL3060487 | 0.64 | AGTR2 (0.37) | PKMALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL28154527 | 0.63 | PDPK1 (0.56) | ALDH1A1ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL4720884 | 0.62 | LOXL2 (0.56) | PKMALDH1A1ADRB2LOXL2PDPK1 | |
| SCHEMBL577582 | 0.61 | — | — | |
| SCHEMBL7375751 | 0.61 | ADORA3 (0.38) | PKMALDH1A1SPHK2SPHK1ADORA3 |
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-1553909-A | Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors | — | 2004-12-08 | — | — | CN | disclosed |