Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GGT1 | P19440 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25836923 | 0.83 | PTGS2 (0.59) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL13537374 | 0.80 | PTGS2 (0.56) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL25836926 | 0.79 | PTGS2 (0.58) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL13537404 | 0.78 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL3855465 | 0.77 | PTGS2 (0.53) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL21813241 | 0.75 | PTGS2 (0.53) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| Aspirin SCHEMBL11554683 | 0.74 | KDM4E (0.83) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| Salmisteine SCHEMBL374402 | 0.74 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| Salmisteine SCHEMBL1404300 | 0.74 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10HPGDALDH1A1 | |
| Aspirin SCHEMBL7762350 | 0.73 | KDM4E (0.96) | PTGS2KDM4EHSD17B10HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3628659-A1 | SELENOESTER-CONTAINING COMPOUNDS FOR USE IN THE TREATMENT OF MICROBIAL INFECTIONS OR COLORECTAL CANCER | Consejo Superior De Investigaciones Científicas (ES) | 2020-04-01 | — | — | EP | disclosed |