Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7942748 | 0.92 | ALDH1A1 (0.55) | ALDH1A1RECQLMMP8TSHRLMNA | |
| SCHEMBL28296727 | 0.90 | CCR1 (0.43) | ALDH1A1RECQLMMP8GPR119PPARA | |
| SCHEMBL28796267 | 0.88 | ALDH1A1 (0.49) | ALDH1A1RECQLMMP8KDM4ELMNA | |
| SCHEMBL28796243 | 0.87 | ALDH1A1 (0.48) | ALDH1A1RECQLMMP8PIN1KMT2A | |
| SCHEMBL28796282 | 0.87 | MMP8 (0.51) | ALDH1A1RECQLMMP8CYP1A2LMNA | |
| SCHEMBL28796256 | 0.86 | ALDH1A1 (0.47) | ALDH1A1RECQLMMP8KDM4ELMNA | |
| SCHEMBL11349337 | 0.86 | CYP3A4 (0.44) | ALDH1A1RECQLMMP8GPR119PPARA | |
| SCHEMBL11357970 | 0.84 | CYP3A4 (0.42) | ALDH1A1GPR119PPARACYP3A4CYP1A2 | |
| SCHEMBL28796335 | 0.83 | AR (0.44) | ALDH1A1RECQLMMP8CYP1A2LMNA | |
| SCHEMBL29048912 | 0.80 | MMP8 (0.46) | ALDH1A1RECQLMMP8CCR1LMNA |
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-B | Solvent-free preparation method of disubstituted cyanoacetate compound | 西华大学 | 2022-07-22 | — | — | CN | disclosed |