Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444760 | 1.00 | PTGDR2 (0.55) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL1022589 | 1.00 | PTGDR2 (0.55) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL1021560 | 1.00 | PTGDR2 (0.55) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL1019728 | 1.00 | PTGDR2 (0.55) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL27038135 | 0.88 | ALDH1A1 (0.43) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL1042450 | 0.82 | ALDH1A1 (0.43) | ALDH1A1GLATSHRTP53CYP3A4 | |
| SCHEMBL6979170 | 0.82 | ALDH1A1 (0.43) | ALDH1A1GLATSHRTP53CYP3A4 | |
| SCHEMBL17861527 | 0.82 | ALDH1A1 (0.46) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL6983957 | 0.82 | ALDH1A1 (0.50) | PTGDR2ALDH1A1GLATSHRTP53 | |
| SCHEMBL6983952 | 0.82 | ALDH1A1 (0.50) | PTGDR2ALDH1A1GLATSHRTP53 |
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-110092774-B | Aromatic propionic acid derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-08 | — | — | CN | disclosed |