Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.51 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.51 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | ALB | P02768 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | RARB | P10826 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21715127 | 0.85 | PTGS2 (0.43) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL10385075 | 0.84 | PTGS2 (0.57) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL5080303 | 0.81 | AKR1C3 (0.52) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL12648271 | 0.78 | PTGS1 (0.57) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL8479916 | 0.77 | PTGS2 (0.58) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL12648270 | 0.77 | PTGS1 (0.56) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL9473715 | 0.77 | PTGS1 (0.56) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL8492139 | 0.76 | BACE1 (0.58) | PTGS2LMNACYP2C9ALOX5ESR1 | |
| SCHEMBL2393839 | 0.76 | PTGS2 (0.56) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL8025320 | 0.75 | PTGS2 (0.57) | PTGS2PTGS1LMNACYP2C9AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417594-B | Amide alcoholysis method | 凯莱英医药集团（天津）股份有限公司 | 2020-03-27 | — | — | CN | disclosed |
| CN-107417594-A | A kind of method of acid amides alcoholysis | 凯莱英医药集团（天津）股份有限公司 | 2017-12-01 | — | — | CN | disclosed |