Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.35 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6515872 | 0.90 | KIF11 (0.43) | ALDH1A1KIF11NOTUMNPFFR1NPFFR2 | |
| SCHEMBL31611799 | 0.84 | KIF11 (0.47) | ALDH1A1KIF11NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL9340546 | 0.82 | KIF11 (0.42) | ALDH1A1KIF11NPFFR1NPFFR2ALDH1A3 | |
| SCHEMBL1205444 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KIF11NPFFR1NPFFR2ALDH1A3 | |
| SCHEMBL3517749 | 0.81 | ERN1 (0.40) | ALDH1A1KIF11NPFFR1NPFFR2 | |
| SCHEMBL1312098 | 0.78 | ALDH1A1 (0.56) | ALDH1A1ALDH1A3HSD17B10ALDH3A1VCAM1 | |
| SCHEMBL17341756 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KIF11NOTUMALDH1A3HSD17B10 | |
| SCHEMBL6856881 | 0.76 | KIF11 (0.46) | ALDH1A1KIF11HSD17B10GRIA1GRIA2 | |
| SCHEMBL40676 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KIF11NOTUMNPFFR1NPFFR2 | |
| SCHEMBL472520 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KIF11NOTUMNPFFR1NPFFR2 |
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-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |