Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5494993 | 0.94 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL30297616 | 0.89 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL28805499 | 0.88 | SLC15A1 (0.45) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL28836242 | 0.88 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL28805500 | 0.88 | SLC15A1 (0.45) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL7994098 | 0.87 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL16440493 | 0.86 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL381082 | 0.85 | ABCB1 (0.53) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL381080 | 0.85 | ABCB1 (0.53) | ALDH1A1L3MBTL1TDP1MAPK1SLC6A2 | |
| SCHEMBL7404261 | 0.85 | ABCB1 (0.53) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0998488-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999002549-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-01-21 | — | — | WO | disclosed |