Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25154231 | 0.74 | KDM4E (0.44) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 | |
| SCHEMBL6748574 | 0.71 | KDM4E (0.53) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 | |
| SCHEMBL14434128 | 0.71 | KDM4E (0.53) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 | |
| SCHEMBL27650044 | 0.70 | — | — | |
| SCHEMBL28859428 | 0.70 | KDM4E (0.49) | SMN1; SMN2GAAKDM4EHSP90AA1NPC1 | |
| SCHEMBL29883799 | 0.70 | KDM4E (0.49) | SMN1; SMN2GAAKDM4EHSP90AA1NPC1 | |
| SCHEMBL28859430 | 0.70 | KDM4E (0.49) | SMN1; SMN2GAAKDM4EHSP90AA1NPC1 | |
| SCHEMBL9876452 | 0.70 | BAZ2B (0.50) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 | |
| SCHEMBL21254106 | 0.67 | KDM4E (0.48) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 | |
| SCHEMBL1911567 | 0.66 | KDM4E (0.57) | SMN1; SMN2GAAKDM4ENAPRTHCAR2 |
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-2017064488-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY | INDIVIOR UK LIMITED (GB) | 2017-04-20 | — | — | WO | disclosed |