Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.67 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.67 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.67 |
| ▸ | ALB | P02768 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 1/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.67 |
| ▸ | RARB | P10826 | 1/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.67 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.67 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL28245503 | 1.00 | PTGS2 (0.67) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL1067026 | 1.00 | PTGS2 (0.67) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Hydrochloric Acid SCHEMBL1178592 | 0.98 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11135627 | 0.93 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11215804 | 0.91 | PTGS2 (0.57) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Benzylamine SCHEMBL28122435 | 0.89 | PTGS2 (0.56) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| Benzylamine SCHEMBL28122433 | 0.89 | PTGS2 (0.56) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL27572113 | 0.86 | EPHX1 (0.52) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL27703432 | 0.85 | PTGS2 (0.62) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL4261121 | 0.85 | PTGS2 (0.73) | PTGS2PTGS1AKR1C3LMNACYP2C9 |
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-108642119-A | A kind of method that stereoselectivity lipase-catalyzed esterification splits 2- (4- aminomethyl phenyls) propionic acid enantiomer | 湖南理工学院 | 2018-10-12 | — | — | CN | disclosed |