Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22639060 | 0.79 | CES2 (0.33) | PTGS1PTGS2DHODHCES2CES1 | |
| SCHEMBL7757146 | 0.70 | LCK (0.36) | PTGS1PTGS2CES2CES1 | |
| SCHEMBL8558347 | 0.70 | LCK (0.36) | PTGS1PTGS2CES2CES1 | |
| SCHEMBL22639076 | 0.68 | CES2 (0.33) | CES2CES1 | |
| SCHEMBL2655336 | 0.67 | CES2 (0.45) | CES2CES1 | |
| SCHEMBL15057797 | 0.64 | CXCR5 (0.35) | PTGS1PTGS2 | |
| SCHEMBL2895115 | 0.64 | CES2 (0.45) | CES2CES1GRIK1 | |
| SCHEMBL28355672 | 0.64 | CES2 (0.45) | CES2CES1GRIK1 | |
| SCHEMBL22639077 | 0.63 | DHODH (0.34) | PTGS1PTGS2DHODH | |
| SCHEMBL20924693 | 0.63 | FFAR1 (0.44) | CES2CES1 |
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-112204035-A | Substituted 3,4,12,12 a-tetrahydro-1 n1- [1,4] oxazino [3,4-c ] pyrido [2,1-f ] [1,2,4] triazine-6, 8-diones, pharmaceutical compositions, methods of production and uses thereof | 亚历山大·瓦西里耶维奇·伊瓦切恩科 | 2021-01-08 | — | — | CN | disclosed |