Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CBS | P35520 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31213025 | 0.98 | CYP1A2 (0.41) | CYP1A2TSHRLMNAUSP2ALDH1A1 | |
| SCHEMBL18074854 | 0.95 | TSHR (0.33) | CYP1A2TSHRLMNAUSP2ALDH1A1 | |
| SCHEMBL11913664 | 0.83 | PTGDR (0.31) | PTGDRPTGDR2 | |
| SCHEMBL11913649 | 0.83 | PTGDR (0.31) | PTGDRPTGDR2 | |
| SCHEMBL21570221 | 0.81 | HSD17B10 (0.31) | TSHRLMNACYP2C19CTHCBS | |
| SCHEMBL8737871 | 0.80 | CYP19A1 (0.37) | CYP1A2TSHRLMNAUSP2ALDH1A1 | |
| SCHEMBL28154094 | 0.77 | CYP19A1 (0.32) | CYP19A1 | |
| SCHEMBL11751611 | 0.75 | SLC1A3 (0.31) | CYP1A2 | |
| SCHEMBL7175558 | 0.74 | CYP2C19 (0.33) | CYP1A2TSHRLMNAUSP2ALDH1A1 | |
| SCHEMBL28155012 | 0.74 | CYP19A1 (0.30) | CYP19A1 |
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-118894776-A | Carboxylic acid and derivative thereof, preparation method and application thereof | 南京医科大学 | 2024-11-05 | — | — | CN | disclosed |