Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.84 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.84 |
| ▸ | ESR1 | P03372 | 4/20 | 0.84 |
| ▸ | NQO2 | P16083 | 4/20 | 0.84 |
| ▸ | AHR | P35869 | 4/20 | 0.84 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.84 |
| ▸ | ABL1 | P00519 | 2/20 | 0.84 |
| ▸ | TTR | P02766 | 2/20 | 0.84 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.84 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.84 |
| ▸ | BCR | P11274 | 2/20 | 0.84 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.84 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.84 |
| ▸ | TUBB | P07437 | 1/20 | 0.84 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.84 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.84 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.84 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.84 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809462 | 1.00 | CYP1A1 (0.84) | CYP1A1CYP1B1ESR1NQO2AHR | |
| 8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 | 0.91 | CYP1A1 (1.00) | CYP1A1CYP1B1ESR1NQO2AHR | |
| Trismethoxyresveratrol SCHEMBL918739 | 0.91 | CYP1A1 (1.00) | CYP1A1CYP1B1ESR1NQO2AHR | |
| Trismethoxyresveratrol SCHEMBL918740 | 0.91 | CYP1A1 (1.00) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL2449266 | 0.89 | KDM4E (0.70) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL2449268 | 0.89 | KDM4E (0.70) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL13443549 | 0.87 | CYP1A1 (0.91) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL3758141 | 0.87 | CYP1A1 (0.91) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL2830674 | 0.87 | KDM4E (0.67) | CYP1A1CYP1B1ESR1NQO2AHR | |
| SCHEMBL25328598 | 0.86 | CYP1A1 (0.86) | CYP1A1CYP1B1ESR1NQO2AHR |
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-2006029436-A1 | COX-II INHIBITOR COMPOUNDS | Universität Wien (AT) | 2006-03-23 | — | — | WO | disclosed |