Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 5/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 4/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL25043462 | 0.86 | PDE4B (0.37) | RIPK1HTR2CHTR2BHTR2ABRD4 | |
| SCHEMBL20384293 | 0.80 | PDE4A (0.33) | HTR2CHTR2BHTR2ABRD4PDE4B | |
| SCHEMBL20384438 | 0.79 | CNR2 (0.36) | RIPK1HTR2CHTR2BHTR2ABRD4 | |
| SCHEMBL20384371 | 0.79 | PDE4A (0.35) | HTR2CHTR2BHTR2ABRD4PDE4B | |
| SCHEMBL983640 | 0.76 | CYP1A2 (0.51) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL983839 | 0.75 | TDP1 (0.47) | RIPK1PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL18754180 | 0.74 | ALDH1A1 (0.46) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL1439332 | 0.74 | HSP90AA1 (0.47) | PDE4BHRH3ALDH1A1KMT2A | |
| SCHEMBL16650725 | 0.73 | BRD4 (0.55) | BRD4SLC6A9 | |
| SCHEMBL3796606 | 0.73 | HTR2C (0.54) | RIPK1HTR2CHTR2BHTR2APDE4B |
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-2020023438-A2 | PROCESS FOR THE PREPARATION OF BROMODOMAIN INHIBITOR | CELGENE QUANTICEL RESEARCH, INC. (US) | 2020-01-30 | — | — | WO | disclosed |