Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | LDHB | P07195 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6821810 | 0.88 | DAO (0.41) | SRD5A2LDHALDHBDAOHDAC1 | |
| SCHEMBL6821850 | 0.84 | DAO (0.48) | DAODHODH | |
| SCHEMBL28228782 | 0.84 | MAPT (0.40) | DAOPARP1 | |
| SCHEMBL6821801 | 0.82 | CYP1A2 (0.45) | LDHALDHBHDAC8PARP1 | |
| SCHEMBL4427278 | 0.81 | PDE3B (0.40) | PARP1PDPK1 | |
| Hydrochloric Acid SCHEMBL9356607 | 0.78 | ALDH1A1 (0.40) | DAOPARP1 | |
| SCHEMBL4381378 | 0.78 | DAO (0.40) | DAOKDM5AKDM5BPARP1 | |
| SCHEMBL7268031 | 0.74 | SRD5A2 (0.54) | SRD5A2LDHALDHBDAOKDM5A | |
| Trifluoroacetic Acid SCHEMBL17594932 | 0.74 | KDM4E (0.36) | PARP1THRB | |
| SCHEMBL6818415 | 0.73 | DAO (0.47) | DAO |
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-2004046122-A2 | BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-06-03 | — | — | WO | disclosed |