Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 7/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19151907 | 1.00 | HDAC6 (0.54) | HDAC6NOX1MEN1KMT2AADRA2A | |
| SCHEMBL12190901 | 0.89 | HDAC6 (0.62) | HDAC6NOX1MEN1KMT2AADRA2A | |
| SCHEMBL29851224 | 0.89 | HDAC6 (0.62) | HDAC6NOX1MEN1KMT2AADRA2A | |
| SCHEMBL15470447 | 0.83 | HDAC6 (0.57) | HDAC6NOX1MEN1KMT2AADRA2A | |
| SCHEMBL342426 | 0.83 | HDAC6 (0.56) | HDAC6NOX1MEN1KMT2AMAOA | |
| SCHEMBL29387100 | 0.83 | HDAC6 (0.56) | HDAC6NOX1MEN1KMT2AMAOA | |
| SCHEMBL4243905 | 0.80 | HDAC6 (0.54) | HDAC6NOX1MEN1KMT2AMAOA | |
| SCHEMBL21915333 | 0.80 | HDAC6 (0.58) | HDAC6NOX1KMT2AADRA2AADRA2B | |
| SCHEMBL8183708 | 0.80 | HDAC6 (0.54) | HDAC6NOX1KMT2AMAOABCHE | |
| SCHEMBL1022593 | 0.80 | HDAC6 (0.58) | HDAC6NOX1MEN1KMT2AMAOA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118164992-A | Diazaspiro [4.4] non-1, 3, 8-triene nitrile compound, and preparation method and application thereof | 中山大学 | 2024-06-11 | — | — | CN | claimed |
| CN-112794985-B | Transparent polyurethane optical material and preparation method thereof | 温州大学新材料与产业技术研究院 | 2022-11-25 | — | — | CN | claimed |
| CN-118480063-A | Heteropolycyclic aromatic hydrocarbon compound and organic electroluminescent device thereof | 吉林省元合电子材料有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-118164992-A | Diazaspiro [4.4] non-1, 3, 8-triene nitrile compound, and preparation method and application thereof | 中山大学 | 2024-06-11 | — | — | CN | disclosed |
| CN-112794985-B | Transparent polyurethane optical material and preparation method thereof | 温州大学新材料与产业技术研究院 | 2022-11-25 | — | — | CN | disclosed |
| CN-112794985-B | Transparent polyurethane optical material and preparation method thereof | 温州大学新材料与产业技术研究院 | 2022-11-25 | — | — | CN | disclosed |