Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7398152 | 0.80 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2TLR8GUSB | |
| SCHEMBL7396057 | 0.78 | SMN1; SMN2 (0.45) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7395996 | 0.77 | SMN1; SMN2 (0.44) | KDM4EALDH1A1SMN1; SMN2TLR8NPC1 | |
| SCHEMBL12732312 | 0.76 | KDM4E (0.58) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1536729 | 0.76 | CYP3A4 (0.51) | KDM4EALDH1A1SMN1; SMN2TLR8NPC1 | |
| SCHEMBL11203475 | 0.76 | NOTUM (0.54) | SMPD3KDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL8161422 | 0.76 | RAC1 (0.52) | KDM4EALDH1A1SMN1; SMN2TLR8NPC1 | |
| SCHEMBL6809626 | 0.76 | ALDH1A1 (0.45) | KDM4EALDH1A1SMN1; SMN2HPGDSTLR8 | |
| SCHEMBL2214288 | 0.75 | CYP1A1 (0.46) | SMPD3KDM4EALDH1A1SMN1; SMN2HPGDS | |
| SCHEMBL31429681 | 0.75 | NOTUM (0.53) | SMPD3KDM4EALDH1A1SMN1; SMN2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1169339-A1 | MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000059929-A1 | MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2000-10-12 | — | — | WO | disclosed |