Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | USP9X | Q93008 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262760 | 0.87 | CYP2D6 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL12226073 | 0.87 | CYP2D6 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6KDM4E | |
| Hydrochloric Acid SCHEMBL27681411 | 0.85 | CYP2D6 (0.52) | CYP2C19CYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL12616732 | 0.85 | CYP1A2 (0.52) | CYP2C19CYP1A2CYP3A4CYP2D6ACLY | |
| SCHEMBL11624125 | 0.83 | SRC (0.46) | CYP2C19CYP2D6ACLYKDM4EALDH1A1 | |
| SCHEMBL28558459 | 0.82 | CYP3A4 (0.50) | CYP2C19CYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL21279895 | 0.82 | KMT2A (0.55) | CYP2C19CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL7023550 | 0.78 | MEN1 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL14401349 | 0.78 | SMN1; SMN2 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6KMT2A | |
| Acetic Acid SCHEMBL9574999 | 0.76 | ALDH1A1 (0.45) | CYP2C19CYP1A2CYP3A4CYP2D6ACLY |
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-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |