Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | WRN | Q14191 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | DGKA | P23743 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | MGLL | Q99685 | 3/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | PAM | P19021 | 2/20 | 0.50 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11058525 | 1.00 | ALDH1A1 (0.64) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL11057053 | 1.00 | ALDH1A1 (0.64) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL11058551 | 1.00 | ALDH1A1 (0.64) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL12809235 | 0.86 | DGKA (0.59) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL14868178 | 0.84 | DGKA (0.56) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL5164605 | 0.83 | PTGS1 (0.63) | ALDH1A1HPGDDGKAPTGS1PTGS2 | |
| SCHEMBL13708492 | 0.83 | PTGS1 (0.63) | ALDH1A1HPGDDGKAPTGS1PTGS2 | |
| SCHEMBL5162244 | 0.83 | PTGS1 (0.63) | ALDH1A1HPGDDGKAPTGS1PTGS2 | |
| SCHEMBL5165318 | 0.81 | PTGS1 (0.60) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL5165324 | 0.81 | PTGS1 (0.60) | ALDH1A1CYP1A2HPGDCYP2C19BLM |
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 |
|---|---|---|---|---|---|---|---|
| US-4448906-A | N-HYDROXYMETHY- OR N-CARBOXY METHYLAMALEIDE FOR USE IN PAINTS AS BIOCIDE | NUODEX INC. (US) | 1984-05-15 | — | — | US | disclosed |