Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | VEGFA | P15692 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30076271 | 0.84 | EGFR (0.42) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL30697191 | 0.79 | EGFR (0.43) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL31216683 | 0.77 | MAPK1 (0.65) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL6469872 | 0.77 | POLB (0.45) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL1536618 | 0.77 | ALOX15 (0.46) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL3841259 | 0.74 | MAOB (0.50) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL3891773 | 0.74 | MAOB (0.47) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL6469940 | 0.73 | MAOB (0.41) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 | |
| SCHEMBL457828 | 0.73 | MAOB (0.54) | MAOBEGFRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23658170 | 0.73 | MAPK1 (0.57) | CYP1A2CYP2C9CYP2C19NPSR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077868-A2 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2005-08-25 | — | — | WO | disclosed |