Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS3 | P17931 | 4/20 | 0.51 |
| ▸ | LGALS4 | P56470 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29220934 | 0.92 | LGALS3 (0.53) | LGALS3LGALS4CYP1A2NFKB1THPO | |
| SCHEMBL29220895 | 0.86 | LGALS3 (0.47) | LGALS3LGALS4 | |
| SCHEMBL29220816 | 0.86 | LGALS3 (0.51) | LGALS3LGALS4 | |
| SCHEMBL7948106 | 0.81 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL7948101 | 0.81 | CYP1A2 (0.53) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL29220916 | 0.80 | ALDH1A1 (0.49) | ALDH1A1NT5E | |
| SCHEMBL7560207 | 0.80 | CYP1A2 (0.51) | LGALS3LGALS4CYP1A2NFKB1THPO | |
| SCHEMBL4830684 | 0.79 | TYR (0.63) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL3138148 | 0.79 | TYR (0.63) | CYP1A2NFKB1THPOALDH1A1PMP22 | |
| SCHEMBL154484 | 0.79 | TYR (0.63) | CYP1A2NFKB1THPOALDH1A1PMP22 |
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-118119631-A | Programmable selective acylation of polyols | 南洋理工大学 | 2024-05-31 | — | — | CN | disclosed |