Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.41 |
| ▸ | GCKR | Q14397 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25072475 | 0.83 | PTPN11 (0.42) | CA2CA9CA12CA1PTPN11 | |
| SCHEMBL9096579 | 0.83 | CA2 (0.46) | CA2CA9CA12CA1CA4 | |
| SCHEMBL25073052 | 0.75 | APP (0.40) | PTPN11MAOBKDM4ENPC1ALDH1A1 | |
| SCHEMBL25073315 | 0.75 | KMT2A (0.49) | PTPN11PTGS2KDM4ENPC1ALDH1A1 | |
| SCHEMBL25073280 | 0.73 | PTPN11 (0.45) | CA2CA1PTPN11GCKGCKR | |
| SCHEMBL23367954 | 0.73 | APP (0.44) | PTPN11KDM4ENPC1ALDH1A1MAPT | |
| SCHEMBL25072418 | 0.71 | PTPN11 (0.44) | PTPN11PTGS1KDM4ENPC1ALDH1A1 | |
| SCHEMBL2090443 | 0.71 | PTPN11 (0.44) | PTPN11KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL18118201 | 0.70 | CA1 (0.56) | CA2CA9CA12CA1PTPN11 | |
| SCHEMBL31341150 | 0.70 | PTPN11 (0.58) | PTPN11CDK5CDK2NPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023023310-A1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2023-02-23 | — | — | WO | disclosed |