Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | TDO2 | P48775 | 1/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11431980 | 0.87 | CES2 (0.49) | PNMTCES2EPHX1ACP3TRPM8 | |
| SCHEMBL27890286 | 0.87 | ALDH1A1 (0.50) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL8234510 | 0.86 | PNMT (0.54) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL29658610 | 0.86 | CES2 (0.67) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL5527951 | 0.86 | CES2 (0.67) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL27996637 | 0.86 | PNMT (0.54) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL18952889 | 0.85 | CES2 (0.57) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL7469419 | 0.84 | PNMT (0.53) | PNMTCES2EPHX1ACP3IDO1 | |
| SCHEMBL377074 | 0.84 | AURKA (0.57) | PNMTCES2EPHX1ACP3 | |
| Hydrochloric Acid SCHEMBL28755205 | 0.84 | PNMT (0.53) | PNMTCES2EPHX1ACP3IDO1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005037196-A2 | SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA, INC. (US) | 2005-04-28 | — | — | WO | claimed |
| CN-108026027-B | Substituted malonamide compounds and their use as antibacterial agents | 邱浩杰 | 2020-10-02 | — | — | CN | disclosed |
| WO-2020039601-A1 | OIL-IN-WATER TYPE EMULSION OF ACTINIC-RAY-CURABLE RESIN COMPOSITION, AND THERMAL RECORDING MATERIAL | 日本化薬株式会社 | 2020-02-27 | — | — | WO | disclosed |
| WO-2005037196-A2 | SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA, INC. (US) | 2005-04-28 | — | — | WO | disclosed |