Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL26678793 | 0.73 | PARP10 (0.40) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4783768 | 0.72 | CES2 (0.43) | CES2CES1MAOBDHODHKDM4E | |
| SCHEMBL31702636 | 0.70 | PARP10 (0.35) | — | |
| SCHEMBL171651 | 0.69 | CES2 (0.67) | CES2CES1GSK3BMAOBDHODH | |
| SCHEMBL2055563 | 0.69 | EPHX1 (0.53) | CES2CES1PDE2AGSK3BAKR1C3 | |
| SCHEMBL19024394 | 0.69 | EPHX1 (0.53) | CES2CES1PDE2AGSK3BAKR1C3 | |
| SCHEMBL28274086 | 0.69 | KDM4E (0.51) | CES2CES1MAOBKDM4EALDH1A1 | |
| SCHEMBL31702622 | 0.68 | ADA (0.36) | KDM4E | |
| Bromide SCHEMBL28812419 | 0.68 | CES2 (0.64) | CES2CES1GSK3BMAOBDHODH | |
| Hydrochloric Acid SCHEMBL8491584 | 0.68 | CES2 (0.64) | CES2CES1GSK3BMAOBDHODH |
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-109320499-A | Pyrrole-3-carboxamide class compound and its preparation method and application | 沈阳药科大学 | 2019-02-12 | — | — | CN | disclosed |