Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.52 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.30 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28752771 | 0.81 | DPP4 (0.53) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL27770326 | 0.80 | DPP4 (0.52) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL434573 | 0.77 | PTPRC (0.46) | ALOX5APFEN1TRPA1PDK2 | |
| SCHEMBL27588476 | 0.76 | DPP4 (0.47) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL209278 | 0.74 | DPP4 (0.69) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL16814898 | 0.74 | DPP4 (0.62) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL3756934 | 0.74 | DPP4 (0.57) | DPP4NOS3NOS1NOS2ADRA2C | |
| SCHEMBL8125021 | 0.74 | MCL1 (0.42) | ALOX5APFEN1TRPA1PDK2 | |
| SCHEMBL15637453 | 0.74 | CYP2A6 (0.47) | ALOX5APFEN1TRPA1PDK2 | |
| SCHEMBL29153433 | 0.74 | ALDH1A1 (0.47) | — |
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-105611930-A | Spiro-quinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) | 2016-05-25 | — | — | CN | disclosed |