Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13380241 | 1.00 | CYP1A1 (0.58) | CYP1A1CYP1B1MAOBPTGS1MAPT | |
| SCHEMBL13380341 | 0.93 | MAPT (0.53) | CYP1A1CYP1B1MAOBPTGS1MAPT | |
| SCHEMBL255255 | 0.87 | CA1 (0.58) | CYP1A1CYP1B1MAOBPTGS1MAPK1 | |
| Hydrogen Sulfide SCHEMBL28878314 | 0.85 | CA1 (0.55) | CYP1A1CYP1B1MAOBPTGS1AHR | |
| SCHEMBL25311192 | 0.85 | CYP1A1 (0.63) | CYP1A1CYP1B1MAOBMAPTKDM4E | |
| SCHEMBL2957320 | 0.82 | ALDH1A1 (0.70) | MAPTKDM4EALDH1A1LMNAMAPK1 | |
| SCHEMBL22559002 | 0.82 | PARP10 (0.72) | CYP1A1CYP1B1MAOBMAPTKDM4E | |
| SCHEMBL16626095 | 0.81 | RAB9A (0.51) | CYP1A1CYP1B1MAOBPTGS1AHR | |
| SCHEMBL9064756 | 0.81 | RAB9A (0.61) | CYP1A1CYP1B1MAOBPTGS1MAPT | |
| SCHEMBL3992142 | 0.81 | KIF11 (0.54) | CYP1A1CYP1B1MAOBAHRRAB9A |
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-2010047335-A1 | BENZENE COMPOUND | 国立大学法人京都大学 (JP) | 2010-04-29 | — | — | WO | disclosed |