Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL631743 | 1.00 | CYP1A2 (0.41) | CYP1A2PDK2KDM4EL3MBTL1MPI | |
| SCHEMBL27693301 | 0.81 | KDM4E (0.46) | CYP1A2KDM4EL3MBTL1MPIMAPT | |
| SCHEMBL13749486 | 0.80 | HTR1B (0.39) | CYP1A2KDM4EL3MBTL1MPIHPGD | |
| SCHEMBL28735041 | 0.77 | ALDH1A1 (0.54) | CYP1A2KDM4EMPIMAOAMAPT | |
| SCHEMBL29291180 | 0.77 | KDM4E (0.46) | CYP1A2PDK2KDM4EL3MBTL1MPI | |
| SCHEMBL16917822 | 0.77 | HTR1B (0.42) | KDM4EL3MBTL1MPIMAPTHPGD | |
| SCHEMBL19760840 | 0.76 | MAOA (0.48) | PDK2KDM4EL3MBTL1MAOAMAPT | |
| SCHEMBL28836547 | 0.75 | CYP1A2 (0.54) | CYP1A2KDM4EMAOAMAPTHPGD | |
| SCHEMBL28735042 | 0.75 | CYP1A2 (0.41) | CYP1A2KDM4EL3MBTL1MAOAMAPT | |
| SCHEMBL28735010 | 0.75 | CRHBP (0.50) | CYP1A2PDK2KDM4EL3MBTL1MAOA |
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-114478337-B | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-114478337-A | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2022-05-13 | — | — | CN | disclosed |