Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 11/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544815 | 0.99 | CXCR4 (0.46) | CXCR4CHRM2ACHEHDAC3HDAC1 | |
| SCHEMBL28551730 | 0.88 | OPRM1 (0.46) | CXCR4OPRM1OPRD1OPRK1HDAC3 | |
| SCHEMBL30541781 | 0.85 | ALDH1A1 (0.42) | HDAC3HDAC1HDAC8 | |
| SCHEMBL28547926 | 0.83 | ALDH1A1 (0.43) | HDAC3HDAC1HDAC8 | |
| SCHEMBL28530178 | 0.81 | NPC1 (0.40) | — | |
| SCHEMBL28539400 | 0.80 | MGLL (0.36) | OPRM1OPRD1OPRK1HDAC3HDAC1 | |
| SCHEMBL28536158 | 0.79 | CYP19A1 (0.45) | — | |
| SCHEMBL28544900 | 0.78 | CYP19A1 (0.44) | HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28539545 | 0.76 | CXCR4 (0.47) | CXCR4CHRM2HDAC3HDAC1HDAC2 | |
| SCHEMBL28538471 | 0.75 | CXCR4 (0.48) | CXCR4CHRM2HDAC3HDAC1HDAC2 |
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-112574089-B | Photo-induced multifunctional crosslinking agent, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| 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 |