Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 6/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28541573 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAOAMAOBSLC18A3LMNA | |
| SCHEMBL28527487 | 0.81 | TRPA1 (0.39) | LMNAKDM1AMAPK1 | |
| SCHEMBL28537781 | 0.79 | HSD11B1 (0.44) | — | |
| SCHEMBL28546864 | 0.74 | MEN1 (0.44) | ALDH1A1MAPK1 | |
| SCHEMBL1642227 | 0.69 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL28341919 | 0.68 | FUCA1 (0.44) | ALDH1A1LMNA | |
| SCHEMBL16822114 | 0.68 | LMNA (0.52) | SLC18A3LMNA | |
| SCHEMBL24587063 | 0.67 | MAOA (0.37) | ALDH1A1MAOAMAOBKDM1A | |
| SCHEMBL1644281 | 0.67 | GRIN2B (0.49) | — | |
| SCHEMBL26934642 | 0.67 | MAOA (0.37) | ALDH1A1MAOAMAOBKDM1A |
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-112522329-B | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-10-08 | — | — | CN | disclosed |
| CN-112522329-A | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-03-19 | — | — | CN | disclosed |