Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3689390 | 0.82 | HSPA5 (0.66) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL3687864 | 0.82 | HSPA5 (0.66) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL8509844 | 0.82 | HSPA5 (0.66) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL3812694 | 0.82 | HSPA5 (0.66) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL3694426 | 0.82 | HSPA5 (0.66) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL8351586 | 0.80 | HSPA5 (0.54) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL1086409 | 0.80 | HSPA5 (0.54) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL8508296 | 0.80 | HSPA5 (0.54) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL25424133 | 0.79 | HSPA5 (0.57) | ALDH1A1KDM4EHSPA5GAALMNA | |
| SCHEMBL27524411 | 0.78 | HSPA5 (0.51) | ALDH1A1KDM4EHSPA5GAALMNA |
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 |