Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8100931 | 0.91 | CXCR4 (0.43) | CXCR4HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28530175 | 0.87 | NPC1 (0.40) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL28541678 | 0.86 | NPC1 (0.37) | CXCR4ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL28536095 | 0.85 | NPC1 (0.38) | CXCR4HDAC1ALDH1A1KMT2ANPC1 | |
| SCHEMBL29113828 | 0.85 | CXCR4 (0.44) | CXCR4HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28541572 | 0.83 | ALDH1A1 (0.41) | HDAC3HDAC1HDAC2HDAC8ALDH1A1 | |
| SCHEMBL28536734 | 0.82 | ALDH1A1 (0.36) | CXCR4PDCD1CD274ALDH1A1KMT2A | |
| SCHEMBL28541566 | 0.82 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL28911027 | 0.82 | CXCR4 (0.45) | CXCR4HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28551714 | 0.81 | NPC1 (0.39) | ALDH1A1KMT2ANPC1RAB9ATDP1 |
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-112574089-A | Photoinduced multifunctional cross-linking agent, and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |