Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 7/20 | 0.74 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.74 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.74 |
| ▸ | TTR | P02766 | 3/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.74 |
| ▸ | MYC | P01106 | 1/20 | 0.74 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.68 |
| ▸ | NQO1 | P15559 | 1/20 | 0.68 |
| ▸ | TUBB1 | Q9H4B7 | 6/20 | 0.64 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.64 |
| ▸ | TUBB | P07437 | 3/20 | 0.64 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.64 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.64 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.64 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.64 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.64 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.64 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.64 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.64 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.64 |
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 | |
|---|---|---|---|---|
| (E)-3,4,3',5'-Tetramethoxystilbene SCHEMBL1394570 | 0.85 | CYP1A1 (1.00) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| (E)-3,4,3',5'-Tetramethoxystilbene SCHEMBL1394568 | 0.85 | CYP1A1 (1.00) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| SCHEMBL9906591 | 0.82 | TUBB1 (0.81) | NQO2TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL12770646 | 0.82 | TUBB1 (0.81) | NQO2TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL12593810 | 0.82 | TUBB1 (0.68) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| SCHEMBL10281431 | 0.82 | PTGS1 (0.74) | NQO2CYP1A1CYP1B1TTRMYC | |
| SCHEMBL14649649 | 0.82 | TUBB1 (0.68) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| SCHEMBL3750347 | 0.81 | CYP1A1 (0.93) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| SCHEMBL15785978 | 0.81 | CYP1A1 (0.93) | NQO2CYP1A1CYP1B1TTRABCG2 | |
| SCHEMBL13409623 | 0.81 | CYP1A1 (0.78) | NQO2CYP1A1CYP1B1TTRABCG2 |
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-2006074924-A1 | 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |