Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28910163 | 0.86 | ALDH1A1 (0.35) | ALDH1A1TDP1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL29113810 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPTCXCR4MAPK1 | |
| SCHEMBL28538385 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPTKMT2AMAPK1 | |
| SCHEMBL28541566 | 0.84 | ALDH1A1 (0.36) | ALDH1A1TDP1KMT2A | |
| SCHEMBL28530175 | 0.83 | NPC1 (0.40) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL28544775 | 0.82 | CXCR4 (0.44) | ALDH1A1TDP1KMT2ACXCR4PDCD1 | |
| SCHEMBL28541612 | 0.82 | MEN1 (0.35) | ALDH1A1TDP1MAPTKMT2APDCD1 | |
| SCHEMBL28551714 | 0.81 | NPC1 (0.39) | ALDH1A1TDP1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL28543717 | 0.80 | S1PR1 (0.32) | ALDH1A1TDP1PTGS1PTGS2MAPT | |
| SCHEMBL28536095 | 0.79 | NPC1 (0.38) | ALDH1A1KMT2ASMN1; SMN2CXCR4 |
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 |