Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL3875750 | 0.80 | — | — | |
| SCHEMBL7971596 | 0.80 | — | — | |
| SCHEMBL4410902 | 0.78 | CHRM1 (0.44) | SLC1A2SLC1A1SLC1A3GRIK1GRIK2 | |
| SCHEMBL11633541 | 0.78 | CA2 (0.43) | ALDH1A1TSHRSLC1A2SLC1A1SLC1A3 | |
| Hydrochloric Acid SCHEMBL5555196 | 0.78 | LCK (0.56) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL1554383 | 0.74 | CA2 (0.68) | SLC1A2SLC1A1SLC1A3LCKPPARD | |
| SCHEMBL4414310 | 0.73 | LCK (0.61) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL7971309 | 0.73 | LCK (0.61) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL15032840 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TSHRSLC1A2SLC1A1SLC1A3 | |
| SCHEMBL10412071 | 0.72 | CHRM1 (0.70) | TSHRSLC1A2SLC1A1SLC1A3LCK |
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 |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |