Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.51 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.48 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.48 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 3/20 | 0.45 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL594432 | 1.00 | MAPT (0.54) | MAPTGAAHSD17B10NR1H2SMARCA2 | |
| SCHEMBL6052351 | 0.95 | MAPT (0.50) | MAPTGAAHSD17B10NR1H2SMARCA2 | |
| SCHEMBL6052124 | 0.89 | IRAK4 (0.47) | MAPTGAAHSD17B10NR1H2GPR119 | |
| SCHEMBL23220924 | 0.86 | MEN1 (0.49) | MAPTNR1H2GPR119LMNANR1H3 | |
| SCHEMBL652725 | 0.85 | MEN1 (0.52) | MAPTNR1H2GPR119LMNANR1H3 | |
| SCHEMBL28744864 | 0.85 | MAPT (0.54) | MAPTGAAHSD17B10LMNAALDH1A1 | |
| SCHEMBL2459991 | 0.85 | GPR119 (0.50) | MAPTNR1H2GPR119LMNANR1H3 | |
| SCHEMBL355300 | 0.85 | BACE1 (0.55) | MAPTNR1H2GPR119LMNANR1H3 | |
| SCHEMBL2462125 | 0.84 | ALDH1A1 (0.51) | MAPTGAAHSD17B10NR1H2GPR119 | |
| SCHEMBL25403559 | 0.83 | SMARCA2 (0.47) | MAPTNR1H2SMARCA2SMARCA4PBRM1 |
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-113651799-B | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | claimed |
| CN-118742539-A | Heterocyclic derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-10-01 | — | — | CN | disclosed |
| CN-113651799-B | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | disclosed |