Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 10/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5692664 | 1.00 | CYP3A4 (0.49) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL8353025 | 0.97 | CYP3A4 (0.50) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL5692618 | 0.96 | CYP3A4 (0.47) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL8354706 | 0.93 | CYP3A4 (0.48) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL5692578 | 0.92 | CYP3A4 (0.46) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL8275284 | 0.92 | CYP3A4 (0.42) | CYP3A4CTSBPPP3CBELANEKDM4E | |
| SCHEMBL4979313 | 0.91 | CYP3A4 (0.47) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL8354091 | 0.91 | CYP3A4 (0.47) | CYP3A4CTSBPPP3CBELANEABCC1 | |
| SCHEMBL5692634 | 0.91 | CYP3A4 (0.43) | CYP3A4CTSBPPP3CBELANEKDM4E | |
| SCHEMBL5692629 | 0.90 | CYP3A4 (0.46) | CYP3A4CTSBPPP3CBELANEABCC1 |
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 9 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-RE42164-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2011-02-22 | — | — | US | disclosed |
| US-RE41894-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-10-26 | — | — | US | disclosed |
| US-RE41894-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-10-26 | — | — | US | disclosed |
| US-RE41356-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-05-25 | — | — | 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 |