Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8525339 | 0.78 | AKR1C4 (0.45) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL31603827 | 0.69 | MEN1 (0.44) | MEN1KMT2ATDP1CYP2D6POLB | |
| Bicarbonate SCHEMBL5147009 | 0.67 | HSD17B10 (0.78) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL111202 | 0.67 | AKR1C4 (0.54) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| Bicarbonate SCHEMBL19514733 | 0.67 | HSD17B10 (0.78) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL28031663 | 0.67 | ALDH1A1 (0.40) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL4077910 | 0.67 | ALDH1A1 (0.56) | TSHRALDH1A1HSD17B10CASP1SMN1; SMN2 | |
| SCHEMBL9279350 | 0.65 | BRD4 (0.41) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL5878784 | 0.65 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT | |
| SCHEMBL1301827 | 0.65 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1TPMT |
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-109651365-B | 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof | 贵州大学 | 2021-11-16 | — | — | CN | claimed |
| CN-109651365-B | 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof | 贵州大学 | 2021-11-16 | — | — | CN | disclosed |