Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13123738 | 1.00 | CTSB (0.52) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL14076934 | 1.00 | CTSB (0.52) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL12892241 | 1.00 | CTSB (0.52) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL375308 | 0.93 | CTSB (0.56) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL8351109 | 0.92 | CYP3A4 (0.60) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL845223 | 0.92 | CYP3A4 (0.60) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL5000436 | 0.92 | CYP3A4 (0.60) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL13997826 | 0.92 | CYP3A4 (0.60) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL8275350 | 0.92 | CYP3A4 (0.60) | CTSBPPP3CBCYP3A4ABCC1ABCC2 | |
| SCHEMBL8286925 | 0.91 | CTSB (0.49) | CTSBPPP3CBCYP3A4ABCC1ABCC2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE42164-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2011-02-22 | — | — | US | disclosed |
| US-RE41356-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-05-25 | — | — | US | disclosed |
| EP-2028186-A2 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-02-25 | — | — | EP | disclosed |
| US-RE40525-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-09-30 | — | — | US | disclosed |
| US-RE40525-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-09-30 | — | — | US | disclosed |