Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.76 |
| ▸ | HPGD | P15428 | 2/20 | 0.76 |
| ▸ | RAD52 | P43351 | 1/20 | 0.76 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PTPN7 | P35236 | 3/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 3/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30441438 | 1.00 | ALDH1A1 (0.76) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL11708561 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL6575931 | 0.84 | MAPT (0.58) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL1918224 | 0.82 | MAPT (0.56) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL1086016 | 0.82 | MAPT (0.66) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL30052013 | 0.82 | MAPT (0.66) | ALDH1A1HPGDRAD52CA12CA1 | |
| Hydrochloric Acid SCHEMBL27585316 | 0.81 | MAPT (0.64) | ALDH1A1HPGDRAD52CA12CA1 | |
| Hydrochloric Acid SCHEMBL11629723 | 0.81 | CA12 (0.55) | ALDH1A1HPGDRAD52CA12CA1 | |
| SCHEMBL1395557 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HPGDRAD52CA12CA1 | |
| Methylhydrazine SCHEMBL1395567 | 0.80 | MAPT (0.54) | ALDH1A1HPGDRAD52CA12CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111875557-A | Thiazole derivative and synthesis method thereof | 南通大学 | 2020-11-03 | — | — | CN | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| CN-111875557-B | Thiazole derivative and synthesis method thereof | 南通大学 | 2023-06-02 | — | — | CN | disclosed |
| CN-111875557-A | Thiazole derivative and synthesis method thereof | 南通大学 | 2020-11-03 | — | — | CN | disclosed |