Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6280979 | 0.88 | GRIN2B (0.42) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL6189868 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL6280976 | 0.79 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7994460 | 0.78 | FOLH1 (0.37) | HTTOPRK1 | |
| SCHEMBL7679543 | 0.77 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7467972 | 0.71 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7672577 | 0.70 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7469105 | 0.69 | TRPC3 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL4025102 | 0.69 | MAPK14 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL8011517 | 0.69 | MAPK14 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B |
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-1414443-B1 | BENZIMIDAZO 4,5-f|ISOQUINOLINONE DERIVATIVES | MERCK & CO INC (US) | 2006-11-15 | — | — | EP | disclosed |