Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1941958 | 0.89 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| SCHEMBL28682350 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| Methane SCHEMBL29008526 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| Hydrochloric Acid SCHEMBL10692245 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| Water SCHEMBL6004776 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| SCHEMBL28675564 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| Hydrochloric Acid SCHEMBL28661391 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TP53MAOBENPP2 | |
| SCHEMBL28996421 | 0.82 | CYP3A4 (0.46) | ALDH1A1CYP3A4ENPP2POLBCA12 | |
| SCHEMBL30426879 | 0.81 | MAOB (0.40) | ALDH1A1CYP3A4MAOBKDM4ETSHR | |
| Sulfuric Acid SCHEMBL30661996 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TP53MAOBENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113912595-B | Compound containing thiazole or thiadiazole structure and application thereof | 中国药科大学 | 2024-03-15 | — | — | CN | disclosed |