Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL30665395 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1MAPTTDP1 | |
| SCHEMBL26615167 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4EL3MBTL1MAPTTDP1 | |
| SCHEMBL18212645 | 0.83 | ALDH1A1 (0.60) | ALDH1A1KDM4EL3MBTL1MAPTLMNA | |
| SCHEMBL20346475 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1MAPTLMNA | |
| SCHEMBL20346481 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1MAPTLMNA | |
| SCHEMBL18211742 | 0.83 | ALDH1A1 (0.60) | ALDH1A1KDM4EL3MBTL1MAPTLMNA | |
| SCHEMBL26615214 | 0.83 | FFAR4 (0.42) | ALDH1A1KDM4ELMNANPSR1MEN1 | |
| SCHEMBL30665346 | 0.83 | FFAR4 (0.42) | ALDH1A1KDM4ELMNANPSR1MEN1 | |
| SCHEMBL26615201 | 0.80 | HTR1A (0.52) | ALDH1A1KDM4EL3MBTL1MAPTLMNA | |
| SCHEMBL26615181 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4EL3MBTL1MAPTTDP1 |
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-116947713-A | Ring-merging compound and application thereof | 中国科学院上海药物研究所 | 2023-10-27 | — | — | CN | disclosed |