Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.31 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.31 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.31 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL998165 | 0.81 | IDO1 (0.46) | GPR35IDO1MAPTRAPGEF4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL999258 | 0.79 | IDO1 (0.48) | GPR35IDO1MAPTRAPGEF4ALDH1A1 | |
| SCHEMBL5778880 | 0.79 | CES2 (0.48) | TACR1IDO1TDO2MAPTRAPGEF4 | |
| SCHEMBL25113016 | 0.78 | ALDH1A1 (0.35) | TACR1IDO1MAPTRAPGEF4ALDH1A1 | |
| SCHEMBL997922 | 0.74 | HDAC3 (0.42) | GPR35IDO1MAPTRAPGEF4ALDH1A1 | |
| SCHEMBL4374429 | 0.72 | RAPGEF4 (0.53) | GPR35IDO1MAPTRAPGEF4ALDH1A1 | |
| SCHEMBL11677821 | 0.72 | RAPGEF4 (0.52) | GPR35IDO1MAPTRAPGEF4ALDH1A1 | |
| SCHEMBL25112073 | 0.72 | MAPT (0.43) | TACR1GPR35IDO1MAPTRAPGEF4 | |
| SCHEMBL27303633 | 0.72 | MAPT (0.34) | IDO1MAPTRAPGEF4ALDH1A1MEN1 | |
| SCHEMBL2183595 | 0.71 | CES2 (0.37) | TACR1IDO1TDO2CES2PNMT |
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-2023036217-A1 | ACRYLAMIDE COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-03-16 | — | — | WO | disclosed |