Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 4/20 | 0.35 |
| ▸ | SRC | P12931 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28858569 | 0.80 | HTR2A (0.40) | HTR2ACYP2A6ABL1SRCCYP1A2 | |
| SCHEMBL28858504 | 0.78 | HTR2A (0.39) | HTR2ACYP2A6ABL1SRCCYP1A2 | |
| SCHEMBL3167744 | 0.77 | TSHR (0.50) | CYP2A6MAPK1 | |
| SCHEMBL8465864 | 0.76 | HTR2A (0.38) | HTR2ACYP2A6ABL1SRCCYP1A2 | |
| SCHEMBL3838715 | 0.76 | HTR2A (0.38) | HTR2ACYP2A6ABL1SRCCYP1A2 | |
| SCHEMBL2063450 | 0.75 | CHRNA7 (0.41) | ABL1KMT2AALDH1A1MAPK1 | |
| SCHEMBL7623681 | 0.75 | ESR1 (0.44) | CYP1A2KMT2AALDH1A1ALOX15 | |
| SCHEMBL6683976 | 0.75 | PYCR1 (0.38) | HTR2ACYP2A6CYP1A2PYCR1KMT2A | |
| SCHEMBL4422682 | 0.75 | HTR2A (0.36) | HTR2ACYP2A6CYP1A2KMT2A | |
| SCHEMBL537301 | 0.75 | HTR2A (0.36) | HTR2ACYP2A6CYP1A2PYCR1KMT2A |
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-115197046-B | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115197046-A | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2022-10-18 | — | — | CN | disclosed |