Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | STK10 | O94804 | 1/20 | 0.37 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28388485 | 0.81 | MCL1 (0.46) | MCL1CA1CA2SLC22A12NCOA3 | |
| SCHEMBL15535538 | 0.81 | MCL1 (0.43) | MCL1CA1CA2HSP90AA1HSP90AB1 | |
| SCHEMBL9640313 | 0.80 | TRPM4 (0.50) | MCL1HSP90AA1HSP90AB1CYP1A2ACMSD | |
| SCHEMBL28384020 | 0.79 | IMPDH2 (0.51) | MCL1CA1CA2SLC22A12KDM4E | |
| SCHEMBL13170778 | 0.78 | CA1 (0.55) | MCL1CA1CA2KDM4EALOX15 | |
| SCHEMBL19435497 | 0.76 | SLC22A12 (0.54) | CA1CA2HSP90AA1HSP90AB1CYP1A2 | |
| SCHEMBL29110490 | 0.76 | MCL1 (0.49) | MCL1CA1CA2KDM4EALOX15 | |
| SCHEMBL20594987 | 0.75 | MCL1 (0.56) | MCL1CA1CA2CYP1A2ACMSD | |
| SCHEMBL29039496 | 0.75 | CA1 (0.50) | MCL1CA1CA2HSP90AA1HSP90AB1 | |
| SCHEMBL20561064 | 0.74 | MCL1 (0.58) | MCL1CA1CA2CYP1A2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107108478-B | URAT1 inhibitors | 日本化学药品株式会社 | 2020-04-24 | — | — | CN | disclosed |
| CN-105418662-A | Preparation and application of cysteine fluorescent probe compound based on BODIPY | UNIV JINAN | 2016-03-23 | — | — | CN | disclosed |