Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27061517 | 0.88 | DRD2 (0.34) | NUDT1BCHENOS3NOS1NOS2 | |
| SCHEMBL20572197 | 0.81 | NOTUM (0.36) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL29363884 | 0.81 | NOTUM (0.36) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL20112301 | 0.77 | KDM4E (0.34) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL19153670 | 0.77 | UHRF1 (0.41) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL20877625 | 0.73 | CA12 (0.37) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL22049112 | 0.73 | OGA (0.36) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL18237678 | 0.73 | KDM4E (0.33) | NUDT1CA12CA1CA2CA9 | |
| SCHEMBL20571030 | 0.73 | DRD2 (0.37) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL31758625 | 0.73 | KDM4E (0.33) | NUDT1CA12CA1CA2CA9 |
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-108467395-B | Chitinase inhibitor and application thereof | 大连理工大学 | 2020-12-11 | — | — | CN | disclosed |