Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL29187830 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL29187801 | 0.85 | ALDH1A1 (0.37) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL30826398 | 0.85 | ALDH1A1 (0.37) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL21872015 | 0.74 | ADRA1A (0.46) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL24329609 | 0.73 | C5AR1 (0.31) | ALDH1A1TSHRKDM4ENPC1RAB9A | |
| SCHEMBL24316035 | 0.73 | HTR2C (0.44) | ALDH1A1MEN1KMT2AHTR2CHTR2B | |
| SCHEMBL24317347 | 0.70 | NOTUM (0.49) | HTR2CHTR2B | |
| SCHEMBL19755626 | 0.69 | C5AR1 (0.35) | TSHRMEN1KMT2AC5AR1CA1 | |
| SCHEMBL19121323 | 0.67 | KMT2A (0.50) | ALDH1A1MEN1KMT2AKDM4EHTR2C | |
| SCHEMBL30826400 | 0.67 | PARP1 (0.43) | CA1CA2CA7CA9ADRA1A |
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-117645562-A | Ligand for copper catalytic coupling reaction and application thereof | 江西德璟生物科技有限公司 | 2024-03-05 | — | — | CN | disclosed |