Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL4047404 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| Perchlorate SCHEMBL10991937 | 0.94 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| Perchlorate SCHEMBL11051679 | 0.94 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| Perchlorate SCHEMBL10991932 | 0.94 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL2393858 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL5902084 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL21164210 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL2393862 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL10991940 | 0.80 | ALDH1A1 (0.34) | ALDH1A1MAPTHPGDHCAR2TDP1 | |
| SCHEMBL20412361 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPTHPGDHCAR2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732903-B1 | TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |