Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | NQO2 | P16083 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25645153 | 0.79 | GRIN2D (0.50) | ALDH1A1CYP1A2KDM4EMAPTKMT2A | |
| SCHEMBL5383597 | 0.79 | CYP1B1 (0.47) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL5383595 | 0.79 | CYP1B1 (0.47) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL10706017 | 0.78 | CHRM5 (0.63) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL23934771 | 0.76 | CYP1A2 (0.46) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL21386596 | 0.74 | CYP1B1 (0.56) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL13128174 | 0.74 | CYP1B1 (0.56) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL29133885 | 0.72 | CA2 (0.47) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL29133889 | 0.72 | CA2 (0.47) | CYP1B1CYP1A1ALDH1A1ESR1AHR | |
| SCHEMBL15986625 | 0.71 | CYP1B1 (0.52) | CYP1B1CYP1A1ALDH1A1ESR1AHR |
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-2021012264-A1 | TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 东莞市东阳光农药研发有限公司 | 2021-01-28 | — | — | WO | disclosed |