Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | PRKACG | P22612 | 1/20 | 0.36 |
| ▸ | PRKACB | P22694 | 1/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2761385 | 0.79 | SLC6A4 (0.43) | SLC6A4HTR2ASLC6A2HTR2BSLC6A3 | |
| SCHEMBL3657046 | 0.77 | SLC6A2 (0.42) | SLC6A4HTR2ASLC6A2HTR2BSLC6A3 | |
| SCHEMBL7216614 | 0.75 | SLC6A4 (0.44) | CHEK1SLC6A4HTR2ASLC6A2HTR2B | |
| SCHEMBL5116224 | 0.74 | SLC6A4 (0.43) | CHEK1SLC6A4HTR2ASLC6A2HTR2B | |
| SCHEMBL6941071 | 0.74 | SLC6A4 (0.46) | CHEK1SLC6A4HTR2ASLC6A2HTR2B | |
| SCHEMBL4269340 | 0.72 | TSHR (0.43) | SLC6A4HTR2ASLC6A2HTR2BSLC6A3 | |
| SCHEMBL7349980 | 0.72 | SLC6A4 (0.41) | SLC6A4HTR2ASLC6A2HTR2BSLC6A3 | |
| SCHEMBL28467612 | 0.71 | CHRNB2 (0.40) | CHEK1SLC6A4HTR2ASLC6A2HTR2B | |
| SCHEMBL7324975 | 0.71 | HPGD (0.46) | SLC6A4HTR2ASLC6A2HTR2BSLC6A3 | |
| SCHEMBL9385927 | 0.71 | MEN1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134752-A1 | DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR | 武汉人福创新药物研发中心有限公司 | 2023-07-20 | — | — | WO | disclosed |