Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18839661 | 0.86 | L3MBTL1 (0.45) | ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL5329152 | 0.82 | ESR1 (0.55) | ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL26196844 | 0.78 | TEAD3 (0.41) | ALDH1A1TSHRRAB9ANPC1HTT | |
| SCHEMBL418384 | 0.77 | RAB9A (0.57) | ALDH1A1TSHRRAB9ANPC1GAA | |
| SCHEMBL18171819 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL20068591 | 0.75 | FPR2 (0.47) | ALDH1A1MAPK1L3MBTL1TSHRRAB9A | |
| SCHEMBL25893352 | 0.75 | TDP1 (0.47) | ALDH1A1MAPK1L3MBTL1TSHRRAB9A | |
| SCHEMBL4857159 | 0.75 | L3MBTL1 (0.50) | ALDH1A1MAPK1L3MBTL1TSHRRAB9A | |
| SCHEMBL28701444 | 0.75 | FLT1 (0.49) | ALDH1A1RAB9ANPC1HTTKDM4E | |
| SCHEMBL28710511 | 0.75 | POLB (0.51) | L3MBTL1RAB9ATP53KDM4EGAA |
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 |