Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21386564 | 0.91 | CYP2A6 (0.55) | CYP2A6HDAC1KDM1AHDAC6KIF11 | |
| SCHEMBL17408975 | 0.86 | CYP2A6 (0.52) | CYP2A6KIF11NFE2L2PTGS1PTGS2 | |
| SCHEMBL13967517 | 0.84 | PTGS2 (0.46) | HDAC1KDM1AHDAC6NFE2L2PTGS1 | |
| SCHEMBL10018702 | 0.82 | PTGS2 (0.48) | HDAC1KDM1AHDAC6NFE2L2PTGS1 | |
| SCHEMBL21093877 | 0.82 | HDAC1 (0.42) | HDAC1KDM1AHDAC6NFE2L2PTGS1 | |
| SCHEMBL2012266 | 0.81 | CYP2A6 (0.56) | CYP2A6PTGS1AKR1C3AKR1C2DRD1 | |
| SCHEMBL416643 | 0.81 | PTGS1 (0.51) | KIF11NFE2L2PTGS1PTGS2DRD1 | |
| SCHEMBL31120808 | 0.81 | PTGS1 (0.51) | KIF11NFE2L2PTGS1PTGS2DRD1 | |
| SCHEMBL10013948 | 0.81 | PTGS2 (0.47) | HDAC1KDM1AHDAC6NFE2L2PTGS1 | |
| SCHEMBL7791196 | 0.79 | NPC1 (0.57) | HDAC1KDM1AHDAC6NFE2L2PTGS1 |
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 |