Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 8/20 | 0.42 |
| ▸ | BACE1 | P56817 | 5/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28953789 | 0.88 | L3MBTL1 (0.41) | ALDH1A1MAPTKMT2ACYP1A2CYP2D6 | |
| SCHEMBL609656 | 0.81 | ANPEP (0.42) | BCHEBACE1ALDH1A1MEN1MAPT | |
| SCHEMBL609658 | 0.81 | ANPEP (0.42) | BCHEBACE1ALDH1A1MEN1MAPT | |
| SCHEMBL5221576 | 0.79 | NPC1 (0.42) | CYP1A2CYP2D6 | |
| SCHEMBL5221569 | 0.79 | NPC1 (0.42) | CYP1A2CYP2D6 | |
| SCHEMBL28848444 | 0.77 | MMP1 (0.42) | ATMALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL3016198 | 0.76 | BACE1 (0.58) | BCHEBACE1 | |
| SCHEMBL3016194 | 0.76 | BACE1 (0.58) | BCHEBACE1 | |
| SCHEMBL5219638 | 0.76 | ADRB3 (0.43) | BCHEBACE1MEN1MAPTKMT2A | |
| SCHEMBL5219646 | 0.76 | ADRB3 (0.43) | BCHEBACE1MEN1MAPTKMT2A |
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-114957053-A | Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof | 中国医学科学院医药生物技术研究所 | 2022-08-30 | — | — | CN | disclosed |