Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31527650 | 0.79 | IKBKB (0.46) | ALDH1A1MAPT | |
| SCHEMBL29015003 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TRPA1TSHRCYP4F2CYP4A11 | |
| SCHEMBL19280612 | 0.75 | TRPA1 (0.39) | ALDH1A1TRPA1TSHRMAPT | |
| SCHEMBL19279237 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TRPA1TSHRCYP4F2CYP4A11 | |
| SCHEMBL28569398 | 0.73 | GAA (0.34) | GAA | |
| SCHEMBL4151489 | 0.72 | ALDH1A1 (0.60) | ALDH1A1TRPA1TSHRNPSR1MAPT | |
| SCHEMBL2722098 | 0.72 | MAPT (0.49) | ALDH1A1NPSR1MAPTGAA | |
| SCHEMBL30896304 | 0.72 | CYP1A2 (0.46) | ALDH1A1TRPA1TSHRMAPTRAPGEF4 | |
| Acetic Acid SCHEMBL14931327 | 0.72 | HTR6 (0.46) | TSHRHTR6 | |
| SCHEMBL348159 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TRPA1TSHRCYP4F2CYP4A11 |
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-108440500-B | Quinazoline HIV-1 inhibitor and preparation method and application thereof | 山东大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-108218896-B | Thiazolopyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2020-03-27 | — | — | CN | disclosed |
| CN-108218890-B | Five-membered non-aromatic ring pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2020-03-27 | — | — | CN | disclosed |