Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17407226 | 0.86 | MAPT (0.42) | HTTESR2L3MBTL1PDK2ALDH1A1 | |
| SCHEMBL29037412 | 0.85 | ALOX5 (0.44) | HTTESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL4277100 | 0.80 | CNR1 (0.44) | HTTESR2CNR1CNR2PDE4B | |
| SCHEMBL30522730 | 0.80 | CNR1 (0.44) | HTTESR2CNR1CNR2PDE4B | |
| SCHEMBL13037434 | 0.80 | MEN1 (0.41) | L3MBTL1PDK2ALDH1A1TSHRMAPK1 | |
| SCHEMBL27472150 | 0.78 | HTT (0.41) | HTTESR2CNR1CNR2L3MBTL1 | |
| SCHEMBL28220956 | 0.77 | HTT (0.47) | HTTESR2CNR1CNR2PDE4B | |
| SCHEMBL28757148 | 0.77 | ESR2 (0.46) | HTTESR2CNR1CNR2PDE4B | |
| SCHEMBL28007815 | 0.77 | HTT (0.47) | HTTESR2CNR1CNR2PDE4B | |
| SCHEMBL28221505 | 0.76 | PDCD1 (0.46) | HTTESR2CNR1CNR2PDE4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026077-A | PHENOXYMETHYL DERIVATIVES | 豪夫迈·罗氏有限公司 | 2018-05-11 | — | — | CN | disclosed |