Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097616 | 0.91 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 | |
| SCHEMBL23226185 | 0.84 | ALDH1A1 (0.69) | ALDH1A1KDM4EL3MBTL1RAB9ALMNA | |
| SCHEMBL20205873 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 | |
| SCHEMBL23678203 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 | |
| SCHEMBL29097295 | 0.81 | LMNA (0.45) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 | |
| SCHEMBL29097618 | 0.78 | MAPT (0.57) | ALDH1A1L3MBTL1RAB9ANPC1LMNA | |
| SCHEMBL29097353 | 0.78 | HPGD (0.47) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 | |
| SCHEMBL30665395 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1LMNANPSR1 | |
| SCHEMBL29097328 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1LMNANPSR1 | |
| SCHEMBL20205877 | 0.75 | MAPT (0.47) | ALDH1A1KDM4EL3MBTL1RAB9ANPC1 |
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 |