Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.58 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3383084 | 0.84 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL3852943 | 0.81 | CA1 (0.67) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL20382586 | 0.81 | CA1 (0.53) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL3848968 | 0.80 | CA1 (0.65) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL29473471 | 0.79 | ALDH1A1 (0.47) | PARP10MAPTCES2CES1PKM | |
| SCHEMBL24209867 | 0.77 | PARP10 (0.66) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL13962133 | 0.77 | CA1 (0.50) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL29473444 | 0.76 | ALDH1A1 (0.52) | MAPTPLK1PRSS1NPC1SMN1; SMN2 | |
| SCHEMBL29473445 | 0.76 | MAOA (0.58) | CA1CA2CES2CES1NPC1 | |
| SCHEMBL29473459 | 0.76 | MAOB (0.58) | CA1CA2MAPTCES2CES1 |
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-110156668-B | Method for synthesizing 4-polyfluoroalkyl-2, 6-diaryl substituted pyridine compound | 福州大学 | 2022-04-26 | — | — | CN | disclosed |