Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 16/20 | 0.54 |
| ▸ | SLC2A9 | Q9NRM0 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL247372 | 0.92 | SLC22A12 (0.54) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL248867 | 0.91 | SLC22A12 (0.66) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30601618 | 0.91 | SLC22A12 (0.66) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3435532 | 0.91 | SLC22A12 (0.54) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3435725 | 0.89 | SLC22A12 (0.52) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1719905 | 0.82 | SLC22A12 (0.55) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL249261 | 0.82 | SLC22A12 (0.66) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1720398 | 0.82 | SLC22A12 (0.54) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12011401 | 0.81 | CA1 (0.46) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL843191 | 0.81 | SLC22A12 (0.54) | SLC22A12SLC2A9CYP2C9CYP2C19CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402011-B1 | S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2012-11-14 | — | — | EP | disclosed |