Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.70 |
| ▸ | GAA | P10253 | 4/20 | 0.70 |
| ▸ | XBP1 | P17861 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849218 | 0.93 | ALDH1A1 (0.62) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL11004910 | 0.91 | ALDH1A1 (0.73) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL6057500 | 0.90 | ALDH1A1 (0.71) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL9734843 | 0.89 | ALDH1A1 (0.57) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL9733702 | 0.85 | HSPA5 (0.61) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL9733677 | 0.82 | CA1 (0.53) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL157049 | 0.81 | ALDH1A1 (0.61) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL2621004 | 0.80 | ALDH1A1 (0.60) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL9733660 | 0.78 | ALDH1A1 (0.79) | ALDH1A1GAAXBP1MAPK1HTT | |
| SCHEMBL39554 | 0.77 | HSPA5 (0.66) | ALDH1A1GAAXBP1MAPK1HTT |
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 |