Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL28543717 | 0.85 | S1PR1 (0.32) | ALDH1A1MAPK1TDP1MAPT | |
| SCHEMBL29113870 | 0.85 | KMT2A (0.39) | KMT2AMEN1CXCR4NPC1RAB9A | |
| SCHEMBL28544775 | 0.78 | CXCR4 (0.44) | KMT2AMEN1CXCR4NPC1RAB9A | |
| SCHEMBL28530175 | 0.75 | NPC1 (0.40) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL28539791 | 0.73 | NPC1 (0.39) | KMT2ANPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL28551714 | 0.73 | NPC1 (0.39) | KMT2ANPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL28530183 | 0.73 | ALDH1A1 (0.41) | KMT2AMEN1ALDH1A1MAPK1TDP1 | |
| SCHEMBL28542167 | 0.73 | AKR1C4 (0.37) | KMT2AMEN1ALDH1A1TDP1MAPT | |
| SCHEMBL28536734 | 0.72 | ALDH1A1 (0.36) | KMT2ACXCR4ALDH1A1MAPK1TDP1 | |
| SCHEMBL28969702 | 0.72 | PDK1 (0.40) | KMT2AMEN1NPC1RAB9AALDH1A1 |
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 |