Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 4/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL7288128 | 0.83 | KCNH2 (0.52) | ADORA2AADORA1MAPTGAACYP1A2 | |
| SCHEMBL8941191 | 0.83 | KCNH2 (0.52) | ADORA2AADORA1MAPTGAACYP1A2 | |
| SCHEMBL7278581 | 0.83 | KCNH2 (0.52) | ADORA2AADORA1MAPTGAACYP1A2 | |
| SCHEMBL7226777 | 0.82 | ADORA2A (1.00) | ADORA2AADORA1MAPTIGF1RTLR7 | |
| SCHEMBL7208784 | 0.80 | MAPT (0.49) | ADORA2AADORA1MAPTRECQLTACR3 | |
| SCHEMBL8441818 | 0.77 | ADORA2A (0.71) | ADORA2AADORA1MAPTIGF1RTLR7 | |
| SCHEMBL7225702 | 0.76 | MAPT (0.46) | ADORA2AADORA1MAPTRECQLTACR3 | |
| SCHEMBL19150082 | 0.75 | ADORA2A (0.68) | ADORA2AADORA1MAPTIGF1RTLR7 | |
| SCHEMBL14424722 | 0.75 | MAPT (0.56) | MAPTRECQLNPSR1KMT2ACYP1A2 | |
| SCHEMBL14424717 | 0.75 | MAPT (0.56) | MAPTRECQLNPSR1KMT2ACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6608085-B1 | Administering for neuroprotection | VERNALIS RESEARCH LIMITED (GB) | 2003-08-19 | — | — | US | disclosed |
| EP-1107761-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (II) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013682-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |