Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6041694 | 0.87 | MAPT (0.48) | MAPTRAB9ATDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL4912817 | 0.85 | TDP1 (0.52) | MAPTCA1CA2TDP1L3MBTL1 | |
| SCHEMBL6044419 | 0.85 | CYSLTR1 (0.49) | MAPTRAB9AL3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL3846345 | 0.84 | L3MBTL1 (0.59) | MAPTRAB9AL3MBTL1LMNAGAA | |
| SCHEMBL5522952 | 0.84 | PKM (0.53) | RAB9AL3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL4907075 | 0.84 | MAPT (0.47) | MAPTRAB9ATDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL28481517 | 0.84 | CA1 (0.53) | MAPTRAB9ACA1CA2SMN1; SMN2 | |
| SCHEMBL30427258 | 0.83 | PARP10 (0.56) | CA1CA2NPC1KMT2AALDH1A1 | |
| SCHEMBL1503528 | 0.83 | MAPT (0.69) | MAPTRAB9ACA1CA2TDP1 | |
| SCHEMBL11147412 | 0.81 | MAPT (0.67) | MAPTRAB9ACA1CA2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111875583-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-109666022-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-111875583-A | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-11-03 | — | — | CN | disclosed |