Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 6/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 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 | |
|---|---|---|---|---|
| SCHEMBL28947454 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAOBKDM4ELMNANPC1 | |
| SCHEMBL28808714 | 0.80 | PARP10 (0.51) | ALDH1A1PARP10IDO1MMP1MMP2 | |
| SCHEMBL15761245 | 0.78 | ALDH1A1 (0.67) | ALDH1A1MAOBPARP15PARP10PARP14 | |
| SCHEMBL30211075 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAOBPARP15PARP10PARP14 | |
| SCHEMBL7970706 | 0.75 | NPC1 (0.62) | ALDH1A1PARP10NPC1RAB9AL3MBTL1 | |
| SCHEMBL5766366 | 0.75 | ALDH1A1 (0.64) | ALDH1A1MAOBPARP15PARP10PARP14 | |
| SCHEMBL7792899 | 0.75 | ALDH1A1 (0.62) | ALDH1A1MAOBPARP15PARP10PARP14 | |
| SCHEMBL28809154 | 0.72 | MAOB (0.49) | ALDH1A1MAOBPARP10IDO1KDM4E | |
| SCHEMBL10107096 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAOBPARP15PARP10PARP14 | |
| SCHEMBL14042674 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAOBIDO1KDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079747-B | N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof | 浙江工业大学 | 2022-08-16 | — | — | CN | disclosed |
| CN-112079747-A | N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof | 浙江工业大学 | 2020-12-15 | — | — | CN | disclosed |