Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | XBP1 | P17861 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12309151 | 0.91 | ALDH1A1 (0.60) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9849461 | 0.90 | ALDH1A1 (0.54) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL11824095 | 0.90 | ALDH1A1 (0.63) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9746354 | 0.86 | ALDH1A1 (0.51) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9734787 | 0.86 | HSPA5 (0.44) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9734591 | 0.85 | ALDH1A1 (0.70) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9733677 | 0.85 | CA1 (0.53) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9734834 | 0.81 | MAPT (0.48) | HIF1AHSD17B10CYP2D6ALDH1A1GAA | |
| SCHEMBL9734843 | 0.81 | ALDH1A1 (0.57) | HSPA5CYP2C9HIF1ACYP2C19SMN1; SMN2 | |
| SCHEMBL9849218 | 0.80 | ALDH1A1 (0.62) | HSPA5CYP2C9HIF1AHSD17B10ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106975-A | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0434185-A2 | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-06-26 | — | — | EP | disclosed |