Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.41 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | PTPRG | P23470 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28796264 | 0.90 | ALDH1A1 (0.48) | CCR1ALDH1A1RECQLMMP8GPR119 | |
| SCHEMBL29048912 | 0.82 | MMP8 (0.46) | CCR1ALDH1A1RECQLMMP8L3MBTL1 | |
| SCHEMBL7942748 | 0.82 | ALDH1A1 (0.55) | ALDH1A1RECQLMMP8TSHRL3MBTL1 | |
| SCHEMBL11357970 | 0.81 | CYP3A4 (0.42) | CCR1ALDH1A1GPR119PPARAOPRK1 | |
| SCHEMBL11349337 | 0.79 | CYP3A4 (0.44) | CCR1ALDH1A1RECQLMMP8GPR119 | |
| SCHEMBL28796267 | 0.78 | ALDH1A1 (0.49) | ALDH1A1RECQLMMP8L3MBTL1 | |
| SCHEMBL28796282 | 0.77 | MMP8 (0.51) | ALDH1A1RECQLMMP8PTPN2PTPN1 | |
| SCHEMBL28796243 | 0.77 | ALDH1A1 (0.48) | ALDH1A1RECQLMMP8 | |
| SCHEMBL28796256 | 0.76 | ALDH1A1 (0.47) | ALDH1A1RECQLMMP8TDP1L3MBTL1 | |
| SCHEMBL11275037 | 0.76 | PPARA (0.48) | ALDH1A1RECQLMMP8GPR119PPARA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109694334-A | The non-solvent preparation of disubstituted cyanoacetic acid ester compounds | 西华大学 | 2019-04-30 | — | — | CN | disclosed |