Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 5/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20765622 | 1.00 | BCHE (0.46) | BCHEACHEROCK2ITGB3ITGA2B | |
| SCHEMBL20765549 | 0.78 | MEN1 (0.49) | BCHEACHEROCK2ITGB3ITGA2B | |
| SCHEMBL20765826 | 0.76 | BCHE (0.41) | BCHEACHEROCK2HSD11B1CHEK2 | |
| SCHEMBL20765824 | 0.76 | BCHE (0.41) | BCHEACHEROCK2HSD11B1CHEK2 | |
| SCHEMBL20765553 | 0.76 | BRS3 (0.40) | BCHEACHESMN1; SMN2 | |
| SCHEMBL20765550 | 0.76 | BRS3 (0.40) | BCHEACHESMN1; SMN2 | |
| SCHEMBL20765818 | 0.76 | ROCK2 (0.49) | BCHEACHEROCK2ALDH1A1SMN1; SMN2 | |
| SCHEMBL20765458 | 0.75 | BCHE (0.42) | BCHEACHEHSD11B1ALDH1A1POLB | |
| SCHEMBL20765461 | 0.75 | BCHE (0.42) | BCHEACHEHSD11B1ALDH1A1POLB | |
| SCHEMBL20765463 | 0.74 | GRIN1 (0.41) | CHEK2ALDH1A1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019038683-A1 | COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) | 2019-02-28 | — | — | WO | claimed |
| WO-2019038683-A1 | COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) | 2019-02-28 | — | — | WO | disclosed |