Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 6/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | FADS1 | O60427 | 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 | |
|---|---|---|---|---|
| SCHEMBL2757287 | 0.84 | HTR2C (0.47) | HTR2CHTR2ACYP2A6PDE3BPDE3A | |
| SCHEMBL12278144 | 0.78 | PAX8 (0.45) | HTR2CHTR2ACYP2A6PAX8MAOA | |
| SCHEMBL17426271 | 0.78 | PAX8 (0.45) | HTR2CHTR2ACYP2A6PAX8MAOA | |
| SCHEMBL15465932 | 0.78 | PAX8 (0.45) | HTR2CHTR2ACYP2A6PAX8MAOA | |
| SCHEMBL12463917 | 0.77 | HTR2A (0.44) | HTR2CHTR2ACYP2A6TRPA1DRD1 | |
| SCHEMBL8272979 | 0.77 | HTR2C (0.38) | HTR2CHTR2ATRPA1PAX8DRD1 | |
| SCHEMBL8277931 | 0.77 | HTR2C (0.45) | HTR2CHTR2APDE3BPDE3ATRPA1 | |
| SCHEMBL12266516 | 0.76 | CYP2A6 (0.56) | HTR2CCYP2A6PDE3BPDE3AMAOA | |
| SCHEMBL4429415 | 0.73 | PAX8 (0.48) | HTR2CHTR2ACYP2A6PAX8MAOA | |
| SCHEMBL8276162 | 0.73 | MAOA (0.43) | HTR2CHTR2ACYP2A6PDE3BPDE3A |
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-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |