Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
| ▸ | GABRE | P78334 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL18125940 | 0.83 | FFAR3 (0.35) | — | |
| SCHEMBL21547934 | 0.83 | KDM4E (0.52) | KDM4EKMT2ACYP1A2CYP2D6GABRD | |
| SCHEMBL23799317 | 0.83 | KDM4E (0.62) | KDM4EKMT2A | |
| SCHEMBL5430016 | 0.79 | KDM4E (0.53) | KDM4EKMT2ACYP1A2CYP2D6 | |
| SCHEMBL16750982 | 0.79 | KDM4E (0.69) | KDM4EKMT2ACYP1A2CYP2D6OPRM1 | |
| SCHEMBL18125955 | 0.78 | ALDH1A1 (0.41) | CYP1A2 | |
| SCHEMBL1957977 | 0.77 | KDM4E (0.55) | KDM4EKMT2ACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL21082480 | 0.77 | KDM4E (0.42) | KDM4EKMT2ATSHR | |
| SCHEMBL10808711 | 0.76 | ALDH1A1 (0.40) | CYP1A2 | |
| SCHEMBL28045022 | 0.75 | KDM4E (0.53) | KDM4EKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114940700-A | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-114349820-A | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-108290926-B | Phenyl propionamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-02-08 | — | — | CN | disclosed |