Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30838570 | 0.80 | ALDH1A1 (0.55) | ALDH1A1GAACES2CES1CTSD | |
| SCHEMBL23270648 | 0.79 | CES2 (0.56) | ALDH1A1GAACES2CES1OGG1 | |
| SCHEMBL29718627 | 0.79 | CES2 (0.46) | ALDH1A1GAACES2CES1MEN1 | |
| SCHEMBL2792589 | 0.78 | OGG1 (0.47) | ALDH1A1GAAOGG1CTSDLMNA | |
| SCHEMBL15645990 | 0.76 | CES2 (0.47) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL15645912 | 0.76 | CES2 (0.47) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL16585353 | 0.76 | KMT2A (0.47) | ALDH1A1GAACES2CES1MEN1 | |
| SCHEMBL30217397 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GAACES2CES1OGG1 | |
| SCHEMBL29237320 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GAACES2CES1OGG1 | |
| SCHEMBL4935324 | 0.74 | CES2 (0.42) | ALDH1A1GAACES2CES1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112279852-B | Triazolo-pyrimidine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2023-01-17 | — | — | CN | disclosed |
| CN-111635408-B | Triazolo-pyrimidine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-111635408-A | Triazolo-pyrimidine compounds and uses thereof | 迪哲（江苏）医药有限公司 | 2020-09-08 | — | — | CN | disclosed |
| CN-111601809-A | Triazolo-pyrimidine compounds and uses thereof | 迪哲（江苏）医药有限公司 | 2020-08-28 | — | — | CN | disclosed |