Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8065661 | 0.91 | ALDH1A1 (0.46) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL4667166 | 0.80 | ALDH1A1 (0.58) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL11781006 | 0.79 | TDP1 (0.61) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL7063519 | 0.79 | GAA (0.65) | ALDH1A1MAPK1SMN1; SMN2MAPTGAA | |
| SCHEMBL28244181 | 0.78 | ALDH1A1 (0.56) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL9798383 | 0.78 | MAPK1 (0.62) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL9797785 | 0.78 | ALDH1A1 (0.62) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL4667304 | 0.77 | CA2 (0.65) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL28366256 | 0.76 | ACHE (0.57) | ALDH1A1GPR35MAPK1TP53HPGD | |
| SCHEMBL10711868 | 0.76 | TDP1 (0.59) | ALDH1A1GPR35MAPK1TP53HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008147381-A1 | DETECTION OF PEROXIDE-BASED EXPLOSIVES USING CHEMILUMINESCENCE | REDXDEFENSE, LLC (US) | 2008-12-04 | — | — | WO | disclosed |