Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | SLC2A9 | Q9NRM0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL12628980 | 0.92 | SLC22A12 (0.49) | ALDH1A1MEN1KMT2ANPC1EGFR | |
| SCHEMBL12011515 | 0.91 | EGFR (0.44) | ALDH1A1MEN1KMT2AEGFRERBB2 | |
| SCHEMBL247372 | 0.86 | SLC22A12 (0.54) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL12011401 | 0.83 | CA1 (0.46) | ALDH1A1NPC1EGFRERBB2CA1 | |
| SCHEMBL843082 | 0.83 | SLC22A12 (0.51) | ALDH1A1MEN1KMT2AEGFRERBB2 | |
| SCHEMBL1719515 | 0.82 | EGFR (0.43) | ALDH1A1MEN1KMT2AEGFRERBB2 | |
| SCHEMBL3435532 | 0.81 | SLC22A12 (0.54) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL13825281 | 0.79 | SLC22A12 (0.54) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL30601618 | 0.79 | SLC22A12 (0.66) | EGFRERBB2CA1CA2CA12 | |
| SCHEMBL248867 | 0.79 | SLC22A12 (0.66) | EGFRERBB2CA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7947721-B2 | able to inhibit various mutated RTs, including K103N, Y181C and Y188L | Ardes Biosciences Inc. (US) | 2011-05-24 | — | — | US | disclosed |