Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28261765 | 0.82 | CYP11B1 (0.49) | LTA4HCYP11B1CYP11B2 | |
| SCHEMBL383153 | 0.79 | MEN1 (0.52) | LTA4HCYP11B1CYP11B2 | |
| SCHEMBL3837906 | 0.76 | GPR55 (0.49) | GPR55 | |
| SCHEMBL11082209 | 0.75 | TUBB4A (0.70) | GPR55CYP11B1CYP11B2 | |
| SCHEMBL11292183 | 0.74 | LTA4H (0.58) | GPR55LTA4HCYP11B1CYP11B2MTNR1A | |
| SCHEMBL3300286 | 0.74 | LTA4H (0.58) | GPR55LTA4HMTNR1AMTNR1B | |
| SCHEMBL2088383 | 0.74 | LTA4H (0.57) | GPR55LTA4HCYP11B1CYP11B2MTNR1A | |
| SCHEMBL7116653 | 0.73 | MTNR1A (0.62) | GPR55LTA4HCYP11B1CYP11B2MTNR1A | |
| SCHEMBL30419864 | 0.73 | ALOX5 (0.66) | LTA4HMTNR1AMTNR1B | |
| SCHEMBL6159185 | 0.73 | LTA4H (0.56) | GPR55LTA4HCYP11B1CYP11B2MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101817793-B | S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC | 2014-01-08 | — | — | CN | disclosed |
| CN-101083987-B | S-triazolyl alpha-mercaptoacetanilides as HIV reverse transcriptase inhibitors | ARDEA BIOSCIENCES INC (US) | 2011-01-26 | — | — | CN | disclosed |
| CN-101817793-A | S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2010-09-01 | — | — | CN | disclosed |
| CN-101083987-A | S-triazolyl alpha-mercaptoacetanilides as HIV reverse transcriptase inhibitors | ARDEA BIOSCIENCES INC (US) | 2007-12-05 | — | — | CN | disclosed |