Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10406789 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MAPK1PTPRCHSD17B10LMNA | |
| SCHEMBL19472353 | 0.74 | ESR1 (0.40) | PTPRCESR1CES1 | |
| SCHEMBL498912 | 0.71 | PTGS2 (0.41) | ALDH1A1MAPK1PTPRCCASP3KDM4E | |
| SCHEMBL3565229 | 0.70 | ALDH1A1 (0.50) | ALDH1A1MAPK1PTPRCHSD17B10KCNN4 | |
| SCHEMBL25771269 | 0.69 | KCNN4 (0.49) | ALDH1A1MAPK1PTPRCHSD17B10KCNN4 | |
| SCHEMBL30547081 | 0.69 | KCNN4 (0.49) | ALDH1A1MAPK1PTPRCHSD17B10KCNN4 | |
| SCHEMBL22129703 | 0.68 | ESR1 (0.43) | ESR1CES1NPC1CASP3RAB9A | |
| SCHEMBL31295703 | 0.68 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10LMNAPBRM1 | |
| SCHEMBL358976 | 0.68 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10LMNAPBRM1 | |
| SCHEMBL20582873 | 0.67 | ALDH1A1 (0.46) | ALDH1A1MAPK1HSD17B10KCNN4LMNA |
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-112159405-B | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-01-01 | — | — | CN | disclosed |