Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GYS1 | P13807 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 6/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023027 | 0.86 | MCL1 (0.44) | KDM4EALDH1A1KMT2AGAAHTT | |
| SCHEMBL9023323 | 0.85 | MCL1 (0.41) | CHUKKDM4EALDH1A1GAAMAPT | |
| SCHEMBL28034518 | 0.77 | KDM4E (0.36) | KDM4EALDH1A1KMT2AGAAHTT | |
| SCHEMBL28035243 | 0.75 | CHUK (0.44) | CHUKCYP11B1CYP11B2ARADORA2A | |
| SCHEMBL9840597 | 0.70 | KDM4E (0.46) | KDM4EALDH1A1KMT2AGAAMAPT | |
| SCHEMBL28034516 | 0.70 | AR (0.33) | ALDH1A1AR | |
| SCHEMBL28035135 | 0.70 | DYRK1A (0.35) | AR | |
| SCHEMBL4748506 | 0.68 | DYRK1A (0.37) | CHUKAR | |
| SCHEMBL30244 | 0.66 | MCL1 (0.45) | CHUKKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL27633703 | 0.66 | KDM4E (0.44) | KDM4EALDH1A1KMT2AGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104982435-A | Biocide composition comprising pyrithione and pyrrole derivatives | ARCH CHEM INC | 2015-10-21 | — | — | CN | disclosed |