Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10089368 | 0.79 | CYP2C19 (0.47) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL31281158 | 0.79 | HSPA5 (0.83) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| Butylated Hydroxytoluene SCHEMBL28956621 | 0.79 | ALDH1A1 (0.62) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL14773884 | 0.78 | CYP2C19 (0.43) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL9180157 | 0.78 | HSPA5 (0.70) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL14471348 | 0.77 | CYP2C19 (0.42) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL8644657 | 0.77 | HSPA5 (0.68) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL29558774 | 0.76 | HSPA5 (0.78) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| SCHEMBL2230912 | 0.76 | HSPA5 (0.78) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A | |
| Butylated Hydroxytoluene SCHEMBL8034258 | 0.76 | CA2 (0.82) | HSPA5CYP2C19CYP2C9SMN1; SMN2HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078765-A2 | CATALYSTS FOR THE POLYMERIZATION OF STYRENE | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-16 | — | — | WO | disclosed |