Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10082461 | 0.93 | ACE (0.33) | HDAC4HDAC1CACNA1BTSHRTGM2 | |
| SCHEMBL10082465 | 0.92 | MMP2 (0.33) | HDAC4HDAC1CACNA1BTSHR | |
| SCHEMBL8282937 | 0.88 | ACE (0.30) | HDAC4HDAC1 | |
| SCHEMBL12618505 | 0.87 | CTSB (0.32) | — | |
| SCHEMBL12809028 | 0.86 | CTSB (0.35) | — | |
| SCHEMBL8281563 | 0.86 | CTSB (0.43) | — | |
| SCHEMBL8293449 | 0.85 | CTSB (0.41) | — | |
| SCHEMBL14159063 | 0.85 | CTSB (0.41) | — | |
| SCHEMBL13051897 | 0.85 | CTSB (0.41) | — | |
| SCHEMBL12709005 | 0.82 | MMP2 (0.33) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005070955-A1 | MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-08-04 | — | — | WO | disclosed |
| WO-2005028501-A1 | MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-03-31 | — | — | WO | disclosed |