Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL366238 | 0.92 | CYP1A2 (0.44) | CYP1A2LMNAPRNPCHRM2HTR1A | |
| SCHEMBL366837 | 0.88 | ALDH1A1 (0.40) | CYP1A2LMNAPRNPCHRM2HTR1A | |
| SCHEMBL364304 | 0.88 | CHRM1 (0.38) | CYP1A2LMNAPRNPCHRM2HTR1A | |
| SCHEMBL365487 | 0.85 | POLR1A (0.40) | CYP1A2LMNAPRNPCHRM2HTR1A | |
| SCHEMBL367618 | 0.85 | BAZ2B (0.38) | HTR1AADRA2ADRD2DRD1SLC6A2 | |
| SCHEMBL366441 | 0.84 | ALDH1A1 (0.43) | CYP1A2LMNAALDH1A1MAPTKDM4E | |
| SCHEMBL366299 | 0.83 | LMNA (0.38) | CYP1A2LMNAPRNPCHRM2HTR1A | |
| SCHEMBL364861 | 0.83 | EGFR (0.51) | CYP1A2LMNACYP2D6KCNH2ALDH1A1 | |
| SCHEMBL364388 | 0.83 | ALDH1A1 (0.43) | CYP1A2LMNAALDH1A1MAPTKDM4E | |
| SCHEMBL365468 | 0.83 | ALDH1A1 (0.39) | CYP1A2ALDH1A1MAPTKDM4EMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |