Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3987174 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL3994779 | 0.90 | KDM4E (0.54) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL30558421 | 0.90 | KDM4E (0.54) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL21715395 | 0.90 | ALDH1A1 (0.54) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL388362 | 0.80 | ALDH1A1 (0.69) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL354324 | 0.80 | KDM4E (1.00) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL23857698 | 0.79 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL3995103 | 0.79 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL6958079 | 0.79 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL5612688 | 0.79 | KDM4E (0.67) | KDM4EALDH1A1HPGDGLAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |
| CN-113195492-B | Novel compound with three-fused ring structure, preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2022-07-08 | — | — | CN | disclosed |