Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ENPEP | Q07075 | 4/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873192 | 0.90 | ENPEP (0.49) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30036241 | 0.90 | ENPEP (0.49) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27936273 | 0.86 | CTSK (0.43) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL15630694 | 0.86 | CTSK (0.43) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL20223064 | 0.86 | CTSK (0.43) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27517907 | 0.84 | S1PR2 (0.41) | ALDH1A1CTSKCTSS | |
| SCHEMBL7074842 | 0.84 | S1PR2 (0.41) | ALDH1A1CTSKCTSS | |
| SCHEMBL2925241 | 0.83 | EPHX2 (0.36) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL10825310 | 0.83 | S1PR2 (0.44) | ALDH1A1CA2 | |
| SCHEMBL31301962 | 0.82 | CYP2D6 (0.44) | HDAC8HDAC3HDAC1HDAC2HDAC6 |
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-110177780-B | Pyrimidine compounds containing acidic groups | 阿普罗斯治疗公司 | 2022-11-01 | — | — | CN | disclosed |