Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.56 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663448 | 1.00 | CTSD (0.56) | CTSDSTAT3CA12CA1CA2 | |
| SCHEMBL2667047 | 0.86 | CTSD (0.54) | CTSDSTAT3CA12CA1CA2 | |
| SCHEMBL29138542 | 0.84 | MAPT (0.50) | CTSDCA12CA1CA2CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28244366 | 0.83 | PDE4A (0.48) | CTSDCA12CA1CA2CA9 | |
| SCHEMBL6659789 | 0.81 | RAB9A (0.44) | NPC1RAB9AHTTKCNK3KCNK9 | |
| SCHEMBL17755042 | 0.81 | CTSD (0.53) | CTSDSTAT3CA12CA1CA2 | |
| SCHEMBL9218515 | 0.81 | CTSD (0.53) | CTSDSTAT3CA12CA1CA2 | |
| SCHEMBL6659787 | 0.81 | RAB9A (0.44) | NPC1RAB9AHTTKCNK3KCNK9 | |
| SCHEMBL9218520 | 0.81 | CTSD (0.53) | CTSDSTAT3CA12CA1CA2 | |
| SCHEMBL10353471 | 0.80 | CTSD (0.51) | CTSDSTAT3CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004011414-A1 | E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME | DSM IP ASSETS B.V. (NL) | 2004-02-05 | — | — | WO | disclosed |