Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5403029 | 0.91 | CA12 (0.59) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL474941 | 0.90 | HDAC1 (0.65) | CA12CA1CA2CA9HDAC3 | |
| Trifluoroacetic Acid SCHEMBL5917247 | 0.86 | HDAC1 (0.61) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL10067644 | 0.80 | CA1 (0.70) | CA12CA1CA2CA9PDK1 | |
| SCHEMBL8755361 | 0.79 | RAB9A (0.71) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL28023107 | 0.78 | L3MBTL1 (0.58) | CA12CA1CA2CA9L3MBTL1 | |
| Diphenylurea SCHEMBL28392913 | 0.78 | SMN1; SMN2 (0.77) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL12965356 | 0.78 | PDK1 (0.59) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL12813838 | 0.78 | PDK1 (0.54) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL9677254 | 0.76 | PDK1 (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-102725272-B | Synthesis of substituted pyrazoline carboxamidine derivatives | ABBOTT HEALTHCARE PRODUCTS BV | 2015-07-15 | — | — | CN | disclosed |