Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | CA12 | O43570 | 7/20 | 0.59 |
| ▸ | CA9 | Q16790 | 7/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.59 |
| ▸ | CASP1 | P29466 | 2/20 | 0.59 |
| ▸ | CASP7 | P55210 | 2/20 | 0.59 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Ayapin SCHEMBL6694210 | 0.82 | KDM4E (0.57) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| Ayapin SCHEMBL30171405 | 0.82 | KDM4E (0.57) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL6843275 | 0.82 | KDM4E (0.57) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL5542275 | 0.74 | CA12 (0.62) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL15842518 | 0.74 | CA9 (0.59) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL15842745 | 0.74 | CA9 (0.59) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| Esculetin SCHEMBL29569228 | 0.74 | CA9 (1.00) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL29886720 | 0.74 | CA12 (0.65) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| SCHEMBL8036025 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CA12CA9HSD17B10KDM4E | |
| Esculetin SCHEMBL6867015 | 0.74 | CA9 (1.00) | ALDH1A1CA12CA9HSD17B10KDM4E |
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-115894890-A | Selective functionalized modification method of primary alcohol compound | 华南理工大学 | 2023-04-04 | — | — | CN | disclosed |