Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29933807 | 1.00 | CA1 (0.38) | CA1CA2TUBB1ALDH1A1LMNA | |
| SCHEMBL2872273 | 0.83 | PTGS2 (0.43) | CA1CA2ALDH1A1HPGDPTGS2 | |
| SCHEMBL29933805 | 0.81 | CA1 (0.37) | CA1CA2TUBB1ALDH1A1LMNA | |
| SCHEMBL28642760 | 0.81 | CA1 (0.37) | CA1CA2TUBB1ALDH1A1LMNA | |
| SCHEMBL28639767 | 0.78 | ALOX5 (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2HPGD | |
| SCHEMBL29933713 | 0.78 | ALOX5 (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2HPGD | |
| SCHEMBL29933751 | 0.78 | TUBB1 (0.40) | CA1CA2TUBB1ALDH1A1LMNA | |
| SCHEMBL29818616 | 0.77 | CA1 (0.47) | CA1CA2TUBB1ALDH1A1L3MBTL1 | |
| SCHEMBL669820 | 0.73 | CA1 (0.50) | CA1CA2ALDH1A1LMNAMAPT | |
| SCHEMBL8502169 | 0.72 | ALDH1A1 (0.45) | CA1CA2TUBB1ALDH1A1MAPT |
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 4 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-A | C-spirocyclic prostaglandin analogue intermediate and preparation method thereof | 上海应用技术大学 | 2021-10-01 | — | — | 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 |
| CN-113461659-A | C-spirocyclic prostaglandin analogue intermediate and preparation method thereof | 上海应用技术大学 | 2021-10-01 | — | — | CN | disclosed |