Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | PARG | Q86W56 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529024 | 0.89 | GBA1 (0.43) | GBA1CYP19A1CA1CA2HDAC4 | |
| SCHEMBL5069078 | 0.81 | LSS (0.53) | GBA1TGFBR1KMT2AALDH1A1MEN1 | |
| SCHEMBL4803526 | 0.77 | HTR2A (0.53) | KMT2AALDH1A1MEN1HTR2C | |
| SCHEMBL4803531 | 0.77 | HTR2A (0.53) | KMT2AALDH1A1MEN1HTR2C | |
| SCHEMBL25252825 | 0.73 | HTR2C (0.53) | GBA1CYP19A1CA1CA2HDAC4 | |
| SCHEMBL5028418 | 0.72 | KMT2A (0.70) | GBA1CYP19A1MMP1KMT2AALDH1A1 | |
| SCHEMBL5028416 | 0.72 | KMT2A (0.70) | GBA1CYP19A1MMP1KMT2AALDH1A1 | |
| SCHEMBL7211522 | 0.72 | USP30 (0.44) | GBA1CYP19A1CA1CA2HDAC4 | |
| SCHEMBL7204569 | 0.70 | GBA1 (0.46) | GBA1CYP19A1CA1CA2HDAC4 | |
| SCHEMBL30700167 | 0.70 | CYP19A1 (0.54) | GBA1CYP19A1CA1CA2HDAC4 |
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-1311475-B1 | AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-08-06 | — | — | EP | disclosed |