Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL283996 | 0.97 | — | — | |
| Lithium SCHEMBL29859941 | 0.95 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2A6TSHRLMNA | |
| SCHEMBL7735306 | 0.81 | CYP1A2 (0.47) | ALDH1A1CYP1A2CYP2A6TSHRACHE | |
| SCHEMBL28077578 | 0.79 | SIGMAR1 (0.40) | ALDH1A1CYP1A2GAACA7CA9 | |
| SCHEMBL191201 | 0.78 | — | — | |
| SCHEMBL190658 | 0.78 | — | — | |
| SCHEMBL27928635 | 0.75 | CYP2A6 (0.47) | ALDH1A1CYP1A2CYP2A6TSHRLMNA | |
| SCHEMBL31131455 | 0.73 | — | — | |
| SCHEMBL9264123 | 0.71 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2A6TSHRLMNA | |
| SCHEMBL467333 | 0.70 | — | — |
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-114890987-A | Thiophenol-thiophene ligand and preparation method thereof, olefin polymerization catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |