Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.95 |
| ▸ | MAPT | P10636 | 1/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | TUBB1 | Q9H4B7 | 8/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 7/20 | 0.52 |
| ▸ | TUBB | P07437 | 7/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.52 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.52 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.52 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.52 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.52 |
| ▸ | TUBA1C | Q9BQE3 | 7/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Antiarol SCHEMBL210578 | 0.97 | CYP3A4 (1.00) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL8162269 | 0.85 | CYP3A4 (0.77) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL29421987 | 0.83 | CYP3A4 (0.74) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL17265618 | 0.83 | CYP3A4 (0.74) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL2386116 | 0.81 | MAPT (0.71) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL2388019 | 0.81 | CYP3A4 (0.71) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL27947896 | 0.80 | CYP3A4 (0.70) | CYP3A4MAPTTDP1ACHECA9 | |
| SCHEMBL10307425 | 0.80 | CYP3A4 (0.68) | CYP3A4MAPTPTGS2TUBB1TUBB4A | |
| SCHEMBL8064768 | 0.78 | CYP3A4 (0.67) | CYP3A4MAPTTDP1PTGS2ALOX5 | |
| SCHEMBL70379 | 0.78 | ALOX5 (0.70) | CYP3A4MAPTTDP1CA9PTGS2 |
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 2 patents. 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 |
| CN-101643465-A | Preparation method of COMT inhibitor 5, 6, 7, 3', 4'-pentamethoxyl isoflavone | UNIV DONGHUA | 2010-02-10 | — | — | CN | disclosed |