Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.64 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.48 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29995455 | 1.00 | AAK1 (0.64) | AAK1EGFRAURKBRAF1KDR | |
| SCHEMBL23731848 | 0.90 | AAK1 (0.59) | AAK1EGFRAURKBRAF1KDR | |
| SCHEMBL38663435 | 0.86 | AAK1 (0.48) | AAK1NPSR1ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3565747 | 0.85 | AAK1 (0.65) | AAK1HDAC3HDAC1SMN1; SMN2 | |
| SCHEMBL29430574 | 0.85 | AAK1 (0.65) | AAK1HDAC3HDAC1SMN1; SMN2 | |
| SCHEMBL38661718 | 0.85 | AAK1 (0.47) | AAK1EGFRAURKBHDAC1LMNA | |
| SCHEMBL17132206 | 0.85 | AAK1 (0.47) | AAK1EGFRAURKBHDAC1LMNA | |
| SCHEMBL17878017 | 0.84 | AURKB (0.48) | AAK1EGFRAURKBRAF1KDR | |
| SCHEMBL38664575 | 0.83 | AURKB (0.47) | AAK1EGFRAURKBHDAC1HTT | |
| SCHEMBL10182635 | 0.81 | AURKB (0.45) | AAK1EGFRAURKBRAF1KDR |
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-112771040-B | Monocyclic lactam compounds and uses thereof | 南京圣和药业股份有限公司 | 2022-10-18 | — | — | CN | disclosed |
| EP-3882246-A1 | MONOBACTAM COMPOUNDS AND USE THEREFOR | Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020098635-A1 | MONOBACTAM COMPOUNDS AND USE THEREFOR | 南京圣和药业股份有限公司 | 2020-05-22 | — | — | WO | disclosed |