Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.67 |
| ▸ | CASP1 | P29466 | 2/20 | 0.67 |
| ▸ | CASP4 | P49662 | 2/20 | 0.67 |
| ▸ | CASP7 | P55210 | 2/20 | 0.67 |
| ▸ | CASP9 | P55211 | 2/20 | 0.67 |
| ▸ | CASP6 | P55212 | 2/20 | 0.67 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.56 |
| ▸ | PTPRC | P08575 | 3/20 | 0.53 |
| ▸ | S100A4 | P26447 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CAPN9 | O14815 | 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 | |
|---|---|---|---|---|
| SCHEMBL3594484 | 0.80 | CASP3 (1.00) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL30232255 | 0.80 | CASP3 (1.00) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL19674180 | 0.77 | PTPRC (0.63) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL30819846 | 0.76 | CASP3 (0.66) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL21774731 | 0.76 | CASP1 (0.67) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL23250129 | 0.76 | CASP3 (0.66) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL4625604 | 0.76 | CASP3 (0.67) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL26621576 | 0.76 | CASP3 (0.62) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL19032766 | 0.75 | CASP1 (0.64) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL9330569 | 0.75 | CASP1 (0.61) | CASP3CASP1CASP4CASP7CASP9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104870422-B | Amine derivative or its salt | 富士胶片富山化学株式会社 | 2019-03-15 | — | — | CN | disclosed |
| CN-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |