Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28848441 | 0.88 | BCHE (0.42) | CYP1A2CYP2D6ALDH1A1MAPTKMT2A | |
| SCHEMBL82782 | 0.77 | NAMPT (0.46) | L3MBTL1CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL609658 | 0.73 | ANPEP (0.42) | L3MBTL1ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL609656 | 0.73 | ANPEP (0.42) | L3MBTL1ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL14193391 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2D6ALDH1A1NPSR1LMNA | |
| SCHEMBL6407735 | 0.71 | PKM (0.51) | L3MBTL1CYP1A2ALDH1A1NAMPTLMNA | |
| SCHEMBL6405771 | 0.71 | PKM (0.51) | L3MBTL1CYP1A2ALDH1A1NAMPTLMNA | |
| SCHEMBL5222219 | 0.71 | OPRM1 (0.47) | L3MBTL1KMT2A | |
| SCHEMBL5222213 | 0.71 | OPRM1 (0.47) | L3MBTL1KMT2A | |
| SCHEMBL28848429 | 0.71 | CTSS (0.36) | — |
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 |