Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | NAAA | Q02083 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 12/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12635064 | 0.97 | EPHX1 (0.55) | EPHX1NAAAGAAEPHX2SMYD3 | |
| SCHEMBL7425848 | 0.81 | EPHX1 (0.57) | EPHX1NAAAGAAEPHX2ALDH1A1 | |
| SCHEMBL8243750 | 0.81 | GAA (0.63) | EPHX1NAAAGAA | |
| SCHEMBL25349245 | 0.79 | CYP1A2 (0.53) | GAAEPHX2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22134964 | 0.78 | EPHX1 (0.66) | EPHX1NAAAGAA | |
| SCHEMBL4436771 | 0.78 | EPHX2 (0.59) | EPHX1NAAAGAAEPHX2 | |
| SCHEMBL31126988 | 0.77 | EPHX1 (0.55) | EPHX1GAAEPHX2ALDH1A1CYP1A2 | |
| SCHEMBL20928290 | 0.77 | EPHX1 (0.65) | EPHX1NAAAGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4415432 | 0.77 | CYP1A2 (0.52) | GAAEPHX2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22136179 | 0.76 | EPHX1 (0.69) | EPHX1NAAAGAAEPHX2 |
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 4 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-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-RE40525-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-09-30 | — | — | US | disclosed |