Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22445772 | 0.80 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27904171 | 0.79 | POLB (0.50) | SMN1; SMN2CYP3A4TDP1ALDH1A1MAPK1 | |
| SCHEMBL16274616 | 0.79 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31426578 | 0.78 | HTT (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28036249 | 0.77 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP3A4ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL2527607 | 0.77 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7669745 | 0.77 | MAPT (0.48) | SMN1; SMN2TDP1ALDH1A1MAPTNPC1 | |
| SCHEMBL3110696 | 0.75 | PDE4D (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30624542 | 0.75 | PDE4D (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1061527 | 0.75 | PDE4D (0.46) | CA12CA1CA2CA7CA9 |
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-105384738-A | Heterocyclic compound as protein kinase inhibitor and preparation method and application thereof | KECHOW PHARMA INC | 2016-03-09 | — | — | CN | disclosed |