Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL22751142 | 0.84 | RIPK1 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL5669941 | 0.78 | SLC6A4 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL9318461 | 0.76 | SLC6A4 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL10487337 | 0.76 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL1554311 | 0.74 | LTA4H (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL11210748 | 0.74 | LTA4H (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL632026 | 0.74 | MAOA (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL2537380 | 0.74 | SLC6A4 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL9318464 | 0.74 | L3MBTL1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19LTA4H | |
| SCHEMBL3710992 | 0.74 | TTR (0.44) | LTA4HTSHRSLC6A4HTR2AHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0045431-A1 | Process for the side-chain bromination of toluenes and mixtures of toluenes diversly highly brominated in the side chain | BAYER AG (DE) | 1982-02-10 | — | — | EP | disclosed |