Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.55 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.55 |
| ▸ | CES1 | P23141 | 3/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342508 | 0.88 | APAF1 (0.44) | ALDH1A1ALDH3A1ALDH2CES1CHRM1 | |
| SCHEMBL28342506 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1MAPK1LMNA | |
| SCHEMBL30967408 | 0.79 | ALDH1A1 (0.61) | ALDH1A1ALDH3A1ALDH2CES1CHRM1 | |
| SCHEMBL15215035 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH2CES1CHRM1 | |
| SCHEMBL3857351 | 0.77 | HTR6 (0.55) | ALDH1A1ALDH3A1ALDH2MAPTMAPK1 | |
| SCHEMBL28342526 | 0.77 | KMT2A (0.57) | ALDH1A1MAPTL3MBTL1MAPK1LMNA | |
| SCHEMBL29054304 | 0.77 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH2CES1CHRM1 | |
| SCHEMBL30498849 | 0.77 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH2CES1CHRM1 | |
| SCHEMBL3861756 | 0.76 | HTR6 (0.49) | ALDH1A1ALDH3A1NPSR1TDP1EGFR | |
| SCHEMBL27737442 | 0.75 | ALDH1A1 (0.47) | ALDH1A1ALDH3A1MAPTLMNATDP1 |
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-108912127-B | Benzo [ b, e ] azepine compound based on isatin skeleton and preparation method thereof | 青岛农业大学 | 2019-12-10 | — | — | CN | disclosed |
| CN-108912127-A | A kind of benzo [b, e] azatropylidene compound and preparation method thereof based on isatin skeleton | 青岛农业大学 | 2018-11-30 | — | — | CN | disclosed |