Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28603349 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRAOX1HPGDMEN1 | |
| SCHEMBL1665623 | 0.79 | MAOA (0.46) | ALDH1A1TSHRAOX1HPGDMEN1 | |
| SCHEMBL6172318 | 0.78 | CES2 (0.45) | ALDH1A1TSHRHPGDMEN1POLB | |
| SCHEMBL28324161 | 0.78 | ALDH1A1 (0.73) | ALDH1A1TSHRAOX1HPGDSMN1; SMN2 | |
| SCHEMBL1668219 | 0.78 | HPGD (0.43) | ALDH1A1TSHRHPGDMEN1POLB | |
| SCHEMBL1665138 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRAOX1HPGDMEN1 | |
| SCHEMBL28116973 | 0.77 | MEN1 (0.38) | TSHRHPGDMEN1POLBKMT2A | |
| SCHEMBL4318565 | 0.77 | MIF (0.40) | MEN1KMT2ARAB9A | |
| SCHEMBL27621487 | 0.77 | MEN1 (0.39) | ALDH1A1HPGDMEN1POLBKMT2A | |
| SCHEMBL1665651 | 0.76 | ALOX15 (0.47) | ALDH1A1TSHRAOX1HPGDMEN1 |
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-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |