Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3790316 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL811114 | 0.82 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL17816907 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL11233430 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL632026 | 0.78 | MAOA (0.52) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL2398857 | 0.78 | CYP3A4 (0.73) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL11210748 | 0.78 | LTA4H (0.41) | CYP1A2CYP2C9CYP2C19CYP3A4LMNA | |
| SCHEMBL2537380 | 0.78 | SLC6A4 (0.49) | CYP1A2CYP2C9CYP2C19CYP3A4L3MBTL1 | |
| SCHEMBL5669941 | 0.78 | SLC6A4 (0.50) | CYP1A2CYP2C9CYP2C19CYP3A4LTA4H | |
| SCHEMBL4514958 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4788349-A | Halogenated diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-11-29 | — | — | US | claimed |
| EP-0252592-A1 | Halogenated diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-13 | — | — | EP | claimed |
| US-4870218-A | Trihalobenzene compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-09-26 | — | — | US | disclosed |
| US-4788349-A | Halogenated diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-11-29 | — | — | US | disclosed |
| EP-0252592-A1 | Halogenated diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-13 | — | — | EP | disclosed |