Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16806152 | 0.96 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806155 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806158 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806187 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806154 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806131 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL13564005 | 0.90 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16806183 | 0.89 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL13564086 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A | |
| SCHEMBL16981555 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19ESR1ADRA2A |
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-2007039609-A1 | PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY | INSTITUT PASTEUR (FR) | 2007-04-12 | — | — | WO | disclosed |