Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305807 | 1.00 | ALDH1A1 (0.39) | ALDH1A1GAADRD1HTR2AMAOA | |
| SCHEMBL7234630 | 1.00 | ALDH1A1 (0.39) | ALDH1A1GAADRD1HTR2AMAOA | |
| SCHEMBL25675874 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAADRD1MAOAMAOB | |
| SCHEMBL25675853 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAADRD1MAOAMAOB | |
| SCHEMBL25659968 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAADRD1MAOAMAOB | |
| SCHEMBL25659969 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAADRD1MAOAMAOB | |
| SCHEMBL9786878 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAADRD1HTR2ASLC6A2 | |
| SCHEMBL9565814 | 0.75 | ALDH1A1 (0.40) | ALDH1A1GAADRD1SLC6A2SLC6A4 | |
| SCHEMBL8144693 | 0.75 | HTR2A (0.41) | ALDH1A1GAADRD1HTR2ASLC6A2 | |
| SCHEMBL8517348 | 0.73 | SLC6A2 (0.38) | ALDH1A1GAADRD1SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0534511-A1 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |