Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28622675 | 1.00 | AOC3 (0.47) | AOC3IDO1PARP1ADRA1DMEN1 | |
| SCHEMBL28040166 | 0.89 | AOC3 (0.46) | AOC3IDO1PARP1ADRA1DMEN1 | |
| SCHEMBL21848091 | 0.86 | NOS2 (0.44) | AOC3IDO1PARP1ADRA1D | |
| SCHEMBL7465459 | 0.85 | MEN1 (0.47) | AOC3IDO1MEN1KMT2AACP3 | |
| SCHEMBL21848064 | 0.84 | AOC3 (0.42) | AOC3IDO1PARP1ADRA1DMEN1 | |
| SCHEMBL28548690 | 0.83 | AOC3 (0.46) | AOC3IDO1PARP1TDO2 | |
| SCHEMBL28764317 | 0.83 | PARP1 (0.42) | IDO1PARP1TDO2 | |
| SCHEMBL28548692 | 0.83 | AOC3 (0.46) | AOC3IDO1PARP1TDO2 | |
| SCHEMBL28764315 | 0.83 | PARP1 (0.42) | IDO1PARP1TDO2 | |
| SCHEMBL17844774 | 0.82 | AOC3 (0.40) | AOC3IDO1PARP1ADRA1DMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200961-B | Heterocyclic inhibitors of ERK1 and ERK2 and their use in cancer treatment | 阿沙纳生物科学公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-114901274-A | Improved methods, kits, compositions and dosing regimens using heterocyclic inhibitors of ERK1 and ERK2 | 阿沙纳生物科学公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113200961-A | Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer | 阿沙纳生物科学公司 | 2021-08-03 | — | — | CN | disclosed |