Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | IAPP | P10997 | 3/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CYBB | P04839 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | BID | P55957 | 2/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27949088 | 0.91 | GABRA1 (0.46) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL27933620 | 0.83 | GABRA1 (0.44) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL27949089 | 0.79 | GABRA1 (0.41) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL27345802 | 0.78 | IDO1 (0.50) | KDM4EALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL29781146 | 0.77 | CA12 (0.47) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL7102166 | 0.76 | GABRA1 (0.55) | GABRA1GABRB2IAPPAKR1B1 | |
| SCHEMBL27949125 | 0.75 | GABRA1 (0.39) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL28795747 | 0.74 | ALDH1A1 (0.44) | GABRA1GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL17938470 | 0.74 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL11855962 | 0.72 | GABRA1 (0.50) | GABRA1GABRB2KDM4EALDH1A1HPGD |
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-103517904-A | Alpha-helix mimetics and methods relating thereto | PRISM BIOLAB CORP | 2014-01-15 | — | — | CN | disclosed |