Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.38 |
| ▸ | VIPR2 | P41587 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30718534 | 0.86 | F2 (0.49) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL30718508 | 0.85 | F2 (0.48) | F2CA2CA1ALDH1A1SPPL2A | |
| SCHEMBL6066041 | 0.84 | F2 (0.51) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL4373557 | 0.84 | F2 (0.51) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL30718544 | 0.84 | F2 (0.47) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL29913751 | 0.83 | F2 (0.52) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL29913761 | 0.82 | F2 (0.48) | F2CA2CA1ALDH1A1SPPL2A | |
| SCHEMBL30718528 | 0.82 | F2 (0.45) | F2CA2ALDH1A1SPPL2ACA12 | |
| SCHEMBL29913880 | 0.80 | F2 (0.49) | F2SPPL2ALAP3ANPEPRNPEP | |
| SCHEMBL8178414 | 0.78 | F2 (0.54) | F2CA2ALDH1A1SPPL2ACA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113277991-B | Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug | 中国医学科学院医药生物技术研究所 | 2022-07-12 | — | — | CN | disclosed |