Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 7/20 | 0.65 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | NOS2 | P35228 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4735081 | 0.89 | CALM1 (0.73) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL24076843 | 0.86 | CALM1 (0.64) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL16568144 | 0.86 | CALM1 (0.86) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL29862145 | 0.86 | CALM1 (0.86) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL715503 | 0.83 | LTA4H (0.64) | ESR1ESR2LTA4HPTGS2KDM4E | |
| SCHEMBL17386226 | 0.80 | CA1 (0.53) | CALM1AKR1B1CYP19A1NPC1MAPT | |
| SCHEMBL13618169 | 0.79 | PTGS2 (0.68) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL3414787 | 0.79 | CALM1 (0.84) | CALM1CYP19A1ESR1ESR2LTA4H | |
| SCHEMBL27254011 | 0.79 | CALM1 (1.00) | CALM1AKR1B1CYP19A1GABRA1GABRG2 | |
| SCHEMBL11766486 | 0.78 | CALM1 (0.44) | CALM1AKR1B1CYP19A1GABRA1GABRG2 |
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-2018090805-A1 | SKIN-PROTECTION COMPOSITION CONTAINING DENDROBIUM-BASED INGREDIENTS | HONG KONG BAPTIST UNIVERSITY (CN) | 2018-05-24 | — | — | WO | disclosed |