Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | MMP1 | P03956 | 5/20 | 0.57 |
| ▸ | MMP2 | P08253 | 5/20 | 0.57 |
| ▸ | MMP9 | P14780 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14244352 | 0.85 | HDAC4 (0.67) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL12425750 | 0.85 | HDAC4 (0.67) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL23585713 | 0.83 | NPC1 (0.67) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL31528747 | 0.82 | MMP1 (0.68) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL8656063 | 0.81 | NPC1 (0.54) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL5441723 | 0.81 | HTT (0.55) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL5441726 | 0.81 | HTT (0.55) | CA12CA9CA1CA2MMP1 | |
| SCHEMBL458024 | 0.81 | MMP1 (0.67) | MMP1MMP2MMP9MAOB | |
| SCHEMBL5250768 | 0.81 | NPSR1 (0.67) | MMP1MMP2MMP9NPC1KDM4E | |
| SCHEMBL458025 | 0.81 | MMP1 (0.67) | MMP1MMP2MMP9MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109761941-A | 2- (benzofuran -7- oxygroup)-N '-substituted aryl/alkyl acetoacetates hydazone derivative and the preparation method and application thereof | 河北大学 | 2019-05-17 | — | — | CN | disclosed |