Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2484068 | 0.89 | CYP1A2 (0.48) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL12478787 | 0.85 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL9728260 | 0.85 | HIF1A (0.47) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL9189250 | 0.85 | ALDH1A1 (0.47) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| Phosphine SCHEMBL6248436 | 0.84 | ALDH1A1 (0.46) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3839265 | 0.81 | MAPK1 (0.49) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1249577 | 0.81 | CYP1A2 (0.42) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL6932097 | 0.81 | CYP1A2 (0.42) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| SCHEMBL1535931 | 0.81 | ALDH1A1 (0.43) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 | |
| Phosphine SCHEMBL8857165 | 0.81 | CYP1A2 (0.42) | CYP2C19CYP1A2CYP2C9HIF1ASMN1; SMN2 |
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-7012138-B1 | Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography | UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) | 2006-03-14 | — | — | US | disclosed |