Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL18839754 | 0.82 | GAA (0.44) | CYP1A2GAAALDH1A1CYP2C9RECQL | |
| SCHEMBL18839788 | 0.80 | TRPV1 (0.43) | CYP1A2GAAALDH1A1CYP2C9RECQL | |
| SCHEMBL18839677 | 0.75 | GAA (0.50) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL18839731 | 0.75 | ADORA3 (0.42) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL20518693 | 0.74 | GAA (0.43) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL15080982 | 0.74 | GAA (0.64) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL18839717 | 0.73 | MALT1 (0.40) | GAAALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL18839580 | 0.69 | GAA (0.59) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL18839796 | 0.67 | GAA (0.53) | CYP1A2GAAALDH1A1CYP2C9MEN1 | |
| SCHEMBL20518695 | 0.67 | GAA (0.36) | CYP1A2GAAALDH1A1CYP2C9RECQL |
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-2017081615-A1 | 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LIMITED (IN) | 2017-05-18 | — | — | WO | disclosed |