Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.67 |
| ▸ | BCHE | P06276 | 3/20 | 0.67 |
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.60 |
| ▸ | APAF1 | O14727 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL18974316 | 1.00 | CES1 (0.67) | CES1BCHECES2CA12CA1 | |
| SCHEMBL18954807 | 0.86 | CA12 (0.67) | CES1BCHECES2CA12CA1 | |
| SCHEMBL15094362 | 0.86 | CHRM5 (0.66) | CES1BCHECES2CA12CA1 | |
| SCHEMBL4609842 | 0.85 | CES1 (0.66) | CES1BCHECES2ALDH1A1ACHE | |
| SCHEMBL11081773 | 0.83 | MAPT (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9904848 | 0.83 | ALDH3A1 (0.72) | CES1BCHECES2CA12CA1 | |
| SCHEMBL13627882 | 0.83 | CA12 (0.50) | CES1BCHECES2CA12CA1 | |
| SCHEMBL3027106 | 0.80 | CES1 (1.00) | CES1BCHECES2CA12CA1 | |
| SCHEMBL18954757 | 0.79 | CA1 (1.00) | CA12CA1CA2CA9 | |
| SCHEMBL5424505 | 0.79 | ALDH1A1 (0.57) | CES1BCHECES2ALDH1A1ACHE |
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-117486780-A | 1-benzyl isatin derivative and preparation method and application thereof | 武汉大学人民医院（湖北省人民医院） | 2024-02-02 | — | — | CN | disclosed |