Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12533678 | 0.81 | KDM1A (0.38) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29418197 | 0.81 | CYP1A2 (0.53) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL333551 | 0.81 | CYP1A2 (0.53) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL604198 | 0.79 | CYP1A2 (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3400966 | 0.79 | KDM4E (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL51845 | 0.79 | KDM4E (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15352304 | 0.79 | KDM4E (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3751790 | 0.79 | KDM4E (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10228036 | 0.79 | KDM4E (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2858438 | 0.79 | CYP1A2 (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4326087-A | REACTING 3-BROMO-4-FLUORO-BENZYL ALCOHOL WITH A CHLORINATING OR BROMINATING AGENT OR 3-BROMO-4-FLUORO-BENZOYL FLUORIDE WITH A HYDRIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |