Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.59 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.59 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468478 | 1.00 | CES1 (0.59) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 | |
| SCHEMBL28799632 | 0.87 | ALDH1A1 (0.65) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 | |
| SCHEMBL28799598 | 0.86 | ALDH3A1 (0.65) | CES1ALDH1A1ALDH2ALDH3A1ACHE | |
| SCHEMBL28467222 | 0.86 | CTRB1 (0.48) | ALDH1A1ALDH2ALDH3A1ACHEHDAC1 | |
| SCHEMBL18954771 | 0.86 | KMT2A (0.72) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 | |
| SCHEMBL28462499 | 0.86 | HDAC1 (0.72) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 | |
| SCHEMBL281838 | 0.84 | TRPA1 (0.71) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 | |
| SCHEMBL29699601 | 0.82 | CASP1 (0.67) | ALDH1A1ALDH2ALDH3A1HPGDHTT | |
| SCHEMBL28799595 | 0.82 | CASP1 (0.67) | ALDH1A1ALDH2ALDH3A1HPGDHTT | |
| SCHEMBL18974295 | 0.79 | CHRM1 (0.71) | CES1ALDH1A1CHRM1ALDH2ALDH3A1 |
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-111747883-B | 1-benzyl isatin derivative and synthesis method and application thereof | 中南大学 | 2022-07-01 | — | — | CN | disclosed |