Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
| ▸ | ATF1 | P18846 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | STK17B | O94768 | 1/20 | 0.33 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 7/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2816574 | 0.82 | NFKB1 (0.33) | ALDH1A1ATF1NFKB1STK17BSTK17A | |
| SCHEMBL17773678 | 0.76 | ALDH1A1 (0.41) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL15633724 | 0.75 | ALDH1A1 (0.40) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL22119896 | 0.73 | ALDH1A1 (0.41) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL30962568 | 0.72 | NNMT (0.46) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL28192509 | 0.72 | ALDH1A1 (0.40) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL29082207 | 0.70 | PIN1 (0.35) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL17773677 | 0.67 | NFKB1 (0.44) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL5723255 | 0.67 | NFKB1 (0.44) | PIN1ALDH1A1ATF1NFKB1 | |
| SCHEMBL15614460 | 0.66 | ALDH1A1 (0.43) | PIN1ALDH1A1KDM4ESMN1; SMN2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452179-A | A kind of synthetic method of 2- chloro-4-methoxy -5- cyanopyrimidine | NANJING PURUIDA PHARMACEUTICAL TECH CO LTD | 2019-11-15 | — | — | CN | disclosed |
| CN-110452179-A | A kind of synthetic method of 2- chloro-4-methoxy -5- cyanopyrimidine | NANJING PURUIDA PHARMACEUTICAL TECH CO LTD | 2019-11-15 | — | — | CN | disclosed |