Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28653235 | 1.00 | ALOX5 (0.41) | ALOX5PTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL29933713 | 0.79 | ALOX5 (0.41) | ALOX5PTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL28639767 | 0.79 | ALOX5 (0.41) | ALOX5PTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL29933805 | 0.79 | CA1 (0.37) | PTGS2ALDH1A1HPGDEGFRSMN1; SMN2 | |
| SCHEMBL28642760 | 0.79 | CA1 (0.37) | PTGS2ALDH1A1HPGDEGFRSMN1; SMN2 | |
| SCHEMBL452160 | 0.69 | ERN1 (0.48) | ALDH1A1LMNAERN1 | |
| SCHEMBL2704056 | 0.69 | ALDH1A1 (0.45) | ALOX5PTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL12806363 | 0.69 | ALDH1A1 (0.45) | ALOX5PTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL7511625 | 0.69 | ERN1 (0.47) | ALDH1A1MAPTERN1 | |
| SCHEMBL27569274 | 0.68 | MAPT (0.44) | ALOX5PTGS1PTGS2ALDH1A1EGFR |
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-113461659-B | C-spirocyclic prostaglandin analogue intermediate and preparation method thereof | 上海应用技术大学 | 2022-11-11 | — | — | CN | claimed |
| CN-113461659-B | C-spirocyclic prostaglandin analogue intermediate and preparation method thereof | 上海应用技术大学 | 2022-11-11 | — | — | CN | disclosed |