Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 17/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.49 |
| ▸ | SLC2A9 | Q9NRM0 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12378964 | 0.93 | THRB (0.49) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10029331 | 0.91 | SLC22A12 (0.49) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL12010037 | 0.82 | SLC22A12 (0.53) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10227725 | 0.80 | SLC22A12 (0.73) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10029207 | 0.80 | SLC22A12 (0.53) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL1719573 | 0.79 | SLC22A12 (0.65) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL253614 | 0.78 | SLC22A12 (0.62) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL249261 | 0.77 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL12056187 | 0.75 | SLC22A12 (0.64) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10029197 | 0.74 | SLC22A12 (0.51) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609917-A1 | Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-2402011-B1 | S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2433633-A1 | Triazolyl alpha -mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2402011-A1 | Intermediates in the synthesis of S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2135608-B1 | S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2011-10-12 | — | — | EP | disclosed |