Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13309126 | 0.82 | ADORA2A (0.39) | S100A4TGFBR1ADORA2AADORA1DHODH | |
| SCHEMBL16279826 | 0.82 | CYP2A6 (0.53) | CYP1A2 | |
| SCHEMBL28132406 | 0.80 | ALDH1A1 (0.44) | HTR2BPSMB5CYP1A2L3MBTL1GAA | |
| SCHEMBL29956107 | 0.78 | ASIC3 (0.41) | ADORA2AADORA1 | |
| SCHEMBL9955665 | 0.76 | S100A4 (0.38) | S100A4HTR2B | |
| SCHEMBL29912137 | 0.76 | S100A4 (0.38) | S100A4HTR2B | |
| SCHEMBL9955492 | 0.76 | NPC1 (0.46) | TGFBR1CYP1A2L3MBTL1GAA | |
| SCHEMBL10262765 | 0.74 | PSMB5 (0.47) | TGFBR1ADORA2AADORA1PSMB5CYP1A2 | |
| SCHEMBL5360517 | 0.72 | SYK (0.45) | S100A4TGFBR1ADORA1PSMB5DHODH | |
| SCHEMBL27852466 | 0.72 | SQOR (0.54) | ADORA1GAAMAPT |
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-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |