Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29913704 | 0.94 | F2 (0.52) | F2ALDH1A1SMN1; SMN2CNR1LTA4H | |
| SCHEMBL30718537 | 0.94 | F2 (0.52) | F2ALDH1A1SMN1; SMN2CNR1LTA4H | |
| SCHEMBL30718539 | 0.88 | F2 (0.39) | F2ALDH1A1SMN1; SMN2MMP7BACE1 | |
| SCHEMBL30718534 | 0.87 | F2 (0.49) | F2ALDH1A1SMN1; SMN2CA12CA2 | |
| SCHEMBL30718508 | 0.86 | F2 (0.48) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL4373557 | 0.85 | F2 (0.51) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL6066041 | 0.85 | F2 (0.51) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL30718544 | 0.85 | F2 (0.47) | F2ALDH1A1SMN1; SMN2CA12CA2 | |
| SCHEMBL29913816 | 0.83 | F2 (0.46) | F2ALDH1A1CA12CA2CA7 | |
| SCHEMBL29913761 | 0.83 | F2 (0.48) | F2ALDH1A1SMN1; SMN2CA2BACE1 |
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-117304129-A | Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition | 中国医学科学院医药生物技术研究所 | 2023-12-29 | — | — | CN | disclosed |
| 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 |