Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.73 |
| ▸ | BCHE | P06276 | 3/20 | 0.73 |
| ▸ | CES2 | O00748 | 1/20 | 0.73 |
| ▸ | ACHE | P22303 | 2/20 | 0.70 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.69 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.67 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.67 |
| ▸ | APAF1 | O14727 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL18288159 | 0.87 | CES1 (0.90) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL14094093 | 0.87 | CES1 (0.65) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL18954654 | 0.85 | ALDH1A1 (0.64) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL3027106 | 0.84 | CES1 (1.00) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL10975507 | 0.83 | CES1 (0.77) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL30774290 | 0.83 | CES1 (0.77) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL18975004 | 0.83 | CES1 (0.77) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL2087729 | 0.82 | ALDH1A1 (1.00) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL29506660 | 0.82 | ALDH1A1 (1.00) | CES1BCHECES2ACHEALDH3A1 | |
| SCHEMBL22589515 | 0.80 | CHRM1 (0.77) | CES1BCHECES2ACHEALDH3A1 |
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 2 patents. 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 |
| WO-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |