Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7427062 | 0.94 | SIGMAR1 (0.36) | ALDH1A1GLAHPGDPOLBEPHX2 | |
| SCHEMBL9131964 | 0.87 | ALDH1A1 (0.37) | ALDH1A1GLAHPGDCCNE1CDK2 | |
| SCHEMBL7442500 | 0.81 | TRPA1 (0.34) | ALDH1A1GLAHPGDPOLBPTGDR2 | |
| SCHEMBL9132072 | 0.78 | ALDH1A1 (0.38) | ALDH1A1GLAHPGDPOLBSIGMAR1 | |
| SCHEMBL7437251 | 0.78 | MEN1 (0.42) | CCNE1CDK2CDK5CDK5R1SIGMAR1 | |
| SCHEMBL9130910 | 0.78 | HCRTR1 (0.35) | ALDH1A1PTGDR2CYP2D6HCRTR1HCRTR2 | |
| SCHEMBL2662144 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GLAHPGDCCNE1CDK2 | |
| SCHEMBL7437217 | 0.76 | TACR1 (0.39) | — | |
| SCHEMBL7445080 | 0.76 | ACE (0.38) | ALDH1A1GLAHPGDCCNE1CDK2 | |
| SCHEMBL9133683 | 0.75 | SIGMAR1 (0.42) | POLBSIGMAR1KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |