Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5540736 | 0.90 | AGXT (0.59) | AGXTMGLLNR4A2GPR84FFAR1 | |
| SCHEMBL131472 | 0.83 | IDO1 (0.55) | AGXTMGLLFFAR1IDO1GSTP1 | |
| Benzene SCHEMBL25178056 | 0.82 | TSHR (0.52) | AGXTIDO1CYP2C19MAOAMAOB | |
| SCHEMBL503 | 0.82 | TSHR (0.52) | AGXTIDO1CYP2C19MAOAMAOB | |
| SCHEMBL901056 | 0.82 | TSHR (0.52) | AGXTIDO1CYP2C19MAOAMAOB | |
| SCHEMBL4515729 | 0.80 | TSHR (0.50) | AGXTIDO1CYP2C19MAOAMAOB | |
| Hydrochloric Acid SCHEMBL4378719 | 0.80 | TSHR (0.50) | AGXTIDO1CYP2C19MAOAMAOB | |
| SCHEMBL28997098 | 0.80 | TSHR (0.50) | AGXTIDO1CYP2C19MAOAMAOB | |
| Water SCHEMBL28793674 | 0.80 | TSHR (0.50) | AGXTIDO1CYP2C19MAOAMAOB | |
| Hydrochloric Acid SCHEMBL28319163 | 0.80 | TSHR (0.50) | AGXTIDO1CYP2C19MAOAMAOB |
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-103562210-B | PI3K 110 δ are had to optionally benzo oxygen azepine * compound and using method | F. HOFFMANN-LA ROCHE AG (CH) | 2016-05-25 | — | — | CN | disclosed |