Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL12097845 | 0.76 | CYP1A2 (0.46) | MGAT2CYP1A2CYP2E1CYP2D6CYP2A6 | |
| SCHEMBL16841763 | 0.73 | MEN1 (0.52) | PTGS2PTGS1KMORAB9A | |
| SCHEMBL31119316 | 0.72 | CYP1A2 (0.51) | MGAT2SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL4483018 | 0.72 | CYP1A2 (0.51) | MGAT2SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL12097501 | 0.72 | LOXL2 (0.46) | MGAT2CYP1A2CYP2E1CYP2D6CYP2A6 | |
| SCHEMBL6726046 | 0.72 | PTGS2 (0.47) | PTGS2PTGS1KCNH2RAB9A | |
| SCHEMBL12097352 | 0.71 | GPBAR1 (0.46) | KCNH2 | |
| SCHEMBL12097552 | 0.71 | LOXL2 (0.45) | MGAT2CYP1A2CYP2E1CYP2D6CYP2A6 | |
| SCHEMBL12098015 | 0.70 | LOXL2 (0.44) | MGAT2SLC6A2SLC6A4SLC6A3CD274 | |
| SCHEMBL12326172 | 0.70 | PTGS2 (0.53) | ADORA2AADORA1PTGS2PTGS1KMO |
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 |
|---|---|---|---|---|---|---|---|
| CN-1922144-A | Phosphodiesterase 4 inhibitors, including n-substituted diarylamine analogs | MEMORY PHARM CORP (US) | 2007-02-28 | — | — | CN | disclosed |