Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | RHEB | Q15382 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL17671024 | 1.00 | AKR1B1 (0.50) | AKR1B1RHEBALDH1A1KDM4EMAPT | |
| SCHEMBL14008515 | 0.75 | RHEB (0.44) | RHEBDRD4DRD3MTNR1AMTNR1B | |
| SCHEMBL29705791 | 0.74 | AKR1B1 (0.47) | AKR1B1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL17681729 | 0.74 | AKR1B1 (0.47) | AKR1B1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL17681725 | 0.73 | AXL (0.44) | AKR1B1RHEBCA2 | |
| Acetic Acid SCHEMBL27942674 | 0.72 | RHEB (0.45) | RHEB | |
| SCHEMBL55504 | 0.70 | AKR1B1 (0.65) | AKR1B1ALDH1A1KDM4EGAACASP1 | |
| SCHEMBL29397431 | 0.70 | AKR1B1 (0.65) | AKR1B1ALDH1A1KDM4EGAACASP1 | |
| SCHEMBL1701239 | 0.70 | AKR1B1 (0.65) | AKR1B1ALDH1A1KDM4EGAACASP1 | |
| SCHEMBL28025571 | 0.70 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTGAACASP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4267555-A1 | OCTAHYDROISOQUINOLINYL DERIVATIVES | UCB Biopharma SRL (BE) | 2023-11-01 | — | — | EP | disclosed |
| CN-116507332-A | Octahydroisoquinolinyl derivatives | UCB生物制药有限责任公司 | 2023-07-28 | — | — | CN | disclosed |
| WO-2022117678-A1 | OCTAHYDROISOQUINOLINYL DERIVATIVES | UCB Biopharma SRL (BE) | 2022-06-09 | — | — | WO | disclosed |