Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL31374896 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP2A6SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL679848 | 0.84 | SMN1; SMN2 (0.55) | CYP2A6SMN1; SMN2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL9135095 | 0.83 | SMN1; SMN2 (0.41) | CYP2A6SMN1; SMN2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL12740233 | 0.83 | ERN1 (0.58) | ALDH1A1CYP2A6SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL17508246 | 0.82 | ERN1 (0.57) | ALDH1A1CYP2A6SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL2014355 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL4455043 | 0.81 | KDM4E (0.45) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL10068337 | 0.80 | ACHE (0.54) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL26628327 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2A6KDM4EERN1TRIM24 | |
| SCHEMBL4896568 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP2A6SMN1; SMN2KDM4ECYP1A2 |
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-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |