Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5394260 | 0.82 | ERN1 (0.54) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL5394265 | 0.82 | ERN1 (0.54) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL11848327 | 0.82 | CYP1A1 (0.59) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL2965510 | 0.81 | KMT2A (0.50) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL2965515 | 0.81 | KMT2A (0.50) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL8207538 | 0.80 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL2315188 | 0.79 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL13128167 | 0.79 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL3739640 | 0.79 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A | |
| SCHEMBL3739643 | 0.79 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2NFE2L2KMT2A |
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 |