Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5074473 | 0.92 | F2 (0.53) | F2MMP2CA1CA2ITGA4 | |
| Hydrochloric Acid SCHEMBL1548337 | 0.91 | F2 (0.53) | F2MMP2CA1CA2ITGA4 | |
| SCHEMBL30718534 | 0.86 | F2 (0.49) | F2CA2ALDH1A1SPPL2ASMN1; SMN2 | |
| SCHEMBL30718508 | 0.85 | F2 (0.48) | F2CA1CA2ALDH1A1SPPL2A | |
| SCHEMBL4373557 | 0.84 | F2 (0.51) | F2CA2ALDH1A1SPPL2A | |
| SCHEMBL6066041 | 0.84 | F2 (0.51) | F2CA2ALDH1A1SPPL2A | |
| SCHEMBL30718544 | 0.84 | F2 (0.47) | F2CA2ALDH1A1SPPL2ASMN1; SMN2 | |
| SCHEMBL29913751 | 0.83 | F2 (0.52) | F2CA2ALDH1A1SPPL2ASMN1; SMN2 | |
| SCHEMBL29913816 | 0.82 | F2 (0.46) | F2CA1CA2ALDH1A1SPPL2A | |
| SCHEMBL30718528 | 0.82 | F2 (0.45) | F2CA2ALDH1A1MAPK1SPPL2A |
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 |