Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 9/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 8/20 | 0.44 |
| ▸ | TUBB | P07437 | 8/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 8/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 8/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 8/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 8/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1402414 | 0.98 | MAPT (0.48) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL69925 | 0.84 | TDP1 (0.52) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL29403778 | 0.84 | TDP1 (0.52) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL8821104 | 0.82 | MAOB (0.39) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL3674074 | 0.82 | CA9 (0.50) | MAPTTDP1CYP3A4CA1CA2 | |
| SCHEMBL30701949 | 0.82 | CA9 (0.50) | MAPTTDP1CYP3A4CA1CA2 | |
| SCHEMBL70595 | 0.81 | MAPT (0.57) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL5349727 | 0.81 | CYP3A4 (0.54) | MAPTTDP1MAOBHIF1AEPAS1 | |
| SCHEMBL3898449 | 0.79 | MAPT (0.64) | MAPTTP53CYP3A4CA1CA2 | |
| SCHEMBL5141870 | 0.79 | MAOB (0.45) | MAPTTDP1MAOBHIF1AEPAS1 |
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-101643465-A | Preparation method of COMT inhibitor 5, 6, 7, 3', 4'-pentamethoxyl isoflavone | UNIV DONGHUA | 2010-02-10 | — | — | CN | claimed |