Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25828131 | 0.87 | PTGER4 (0.58) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL8161862 | 0.78 | GAA (0.49) | PTGER4GAAALOX15ALDH1A1HTT | |
| SCHEMBL14800323 | 0.77 | PTGER4 (0.73) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL25256734 | 0.76 | PTGER4 (0.50) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL9681422 | 0.76 | HDAC1 (0.40) | MAPTALDH1A1KDM4E | |
| SCHEMBL16846282 | 0.74 | PTGER4 (0.76) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL9683479 | 0.74 | AKR1B1 (0.43) | MAPTALDH1A1HPGDHTTLMNA | |
| SCHEMBL14376790 | 0.74 | KCNQ3 (0.58) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL6169580 | 0.73 | PTGER4 (0.64) | PTGER4GAAALOX15MAPTALDH1A1 | |
| SCHEMBL408918 | 0.73 | PTGER4 (0.67) | PTGER4GAAALOX15MAPTALDH1A1 |
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-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |