Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PYGL | P06737 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | KIF5B | P33176 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17264177 | 0.79 | MAOB (0.48) | MAOBTDP1CYP3A4MAPTCYP1A2 | |
| SCHEMBL10534559 | 0.76 | PYGL (0.57) | BACE1PYGLMAPTTSHRALDH1A1 | |
| SCHEMBL3904069 | 0.74 | KDM4E (0.46) | MAOBBACE1PYGLTDP1MAPT | |
| SCHEMBL10747461 | 0.74 | PYGL (0.56) | BACE1PYGLMAPTALDH1A1GAA | |
| SCHEMBL11883401 | 0.74 | PYGL (0.46) | MAOBPYGLMAPTALDH1A1GAA | |
| SCHEMBL119396 | 0.73 | MAOB (0.70) | MAOBTDP1ESR1ESR2CYP3A4 | |
| SCHEMBL30514387 | 0.73 | MAOB (0.70) | MAOBTDP1ESR1ESR2CYP3A4 | |
| Bromide SCHEMBL11384106 | 0.72 | MAOB (0.42) | MAOBBACE1PYGLAPPTDP1 | |
| SCHEMBL19595290 | 0.72 | ALDH1A1 (0.61) | APPTDP1MAPTTSHRALDH1A1 | |
| SCHEMBL68212 | 0.72 | MAOB (0.67) | MAOBAPPESR1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3230274-B1 | NOVEL ARYL-CYANOGUANIDINE COMPOUNDS | Bayer Pharma AG (DE) | 2019-01-30 | — | — | EP | disclosed |