Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 5/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 5/20 | 0.35 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20779645 | 0.89 | IRAK1 (0.41) | IRAK1IRAK4BRD4BMPR1AACVRL1 | |
| SCHEMBL20779742 | 0.82 | FLT3 (0.34) | BRD4ALDH1A1LMNATSHRTP53 | |
| SCHEMBL20779572 | 0.81 | ALDH1A1 (0.37) | BRD4ALDH1A1LMNATSHRTP53 | |
| SCHEMBL20779785 | 0.79 | GPR39 (0.49) | ALDH1A1LMNAGFERMAPTMAPK1 | |
| SCHEMBL20779876 | 0.78 | ALDH1A1 (0.32) | BRD4ALDH1A1LMNATSHRTP53 | |
| SCHEMBL20766974 | 0.78 | BRD4 (0.45) | IRAK1IRAK4BRD4ALDH1A1LMNA | |
| SCHEMBL20766196 | 0.78 | BRD4 (0.56) | IRAK1IRAK4BRD4 | |
| SCHEMBL29901813 | 0.78 | BRD4 (0.56) | IRAK1IRAK4BRD4 | |
| SCHEMBL20779751 | 0.77 | KDM4E (0.38) | LMNAADORA2AADORA1MAPT | |
| SCHEMBL20779692 | 0.77 | LATS1 (0.43) | IRAK1IRAK4ALDH1A1AOC3GFER |
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-2019040380-A1 | BENZOSULFONYL COMPOUNDS | VIVACE THERAPEUTICS, INC. (US) | 2019-02-28 | — | — | WO | disclosed |