Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 4/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15821857 | 0.81 | MAOB (0.43) | MAOBGAAKDM4ECYP1A2GLA | |
| SCHEMBL21761052 | 0.75 | PTGS1 (0.33) | MAPT | |
| SCHEMBL21761046 | 0.75 | SMN1; SMN2 (0.39) | GAAKDM4EGLAMAPTSMN1; SMN2 | |
| SCHEMBL23585298 | 0.74 | MAOB (0.46) | MAOBGAAKDM4ECYP1A2GLA | |
| SCHEMBL30016513 | 0.74 | MAOB (0.46) | MAOBGAAKDM4ECYP1A2GLA | |
| SCHEMBL21761023 | 0.74 | — | — | |
| SCHEMBL260389 | 0.74 | MAOB (0.48) | MAOBGAAKDM4ECYP1A2GLA | |
| SCHEMBL18864972 | 0.72 | MAOB (0.58) | MAOBKDM4EMAPTMAOASMN1; SMN2 | |
| SCHEMBL12144473 | 0.71 | AAK1 (0.56) | MAOBMAOAAAK1ARALDH1A1 | |
| SCHEMBL29070081 | 0.70 | MAOB (0.63) | MAOBGAAKDM4ECYP1A2GLA |
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-2020040104-A1 | BICYCLIC HETEROAROMATIC RING DERIVATIVE | 杏林製薬株式会社 | 2020-02-27 | — | — | WO | disclosed |