Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6469940 | 0.80 | MAOB (0.41) | POLBHSP90AA1MAPTMAOBEGFR | |
| SCHEMBL30593929 | 0.78 | MAOB (0.44) | MAOBEGFRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6469983 | 0.77 | CYP1A2 (0.41) | POLBHSP90AA1MAPTMAOBEGFR | |
| SCHEMBL457828 | 0.73 | MAOB (0.54) | MAPTMAOBEGFRSLC6A2SLC6A4 | |
| SCHEMBL23753899 | 0.72 | MAPT (0.37) | POLBHSP90AA1MAPTMAOBEGFR | |
| SCHEMBL3842164 | 0.71 | MAOB (0.52) | MAPTMAOBEGFRSLC6A2SLC6A4 | |
| SCHEMBL3899847 | 0.71 | MAOB (0.59) | MAPTMAOBEGFRSLC6A2SLC6A4 | |
| SCHEMBL3839157 | 0.69 | ALDH1A1 (0.54) | MAPTMAOBEGFRKDRKMT2A | |
| SCHEMBL3838974 | 0.69 | ALDH1A1 (0.54) | MAPTMAOBEGFRKDRKMT2A | |
| SCHEMBL23658170 | 0.69 | MAPK1 (0.57) | MAPTMAOBEGFRCYP1A2CYP3A4 |
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 |