Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20147823 | 0.87 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL16440493 | 0.83 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL14113817 | 0.81 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL8043863 | 0.80 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL18510026 | 0.80 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL1060204 | 0.79 | ABCB1 (0.51) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL30297616 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL8848957 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL5799465 | 0.78 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1ALOX5ABCB1LMNA | |
| SCHEMBL23651642 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000729-A2 | BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0409499-A2 | Pharmaceutical compositions | BTG INTERNATIONAL LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |