Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2519793 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2A6TDP1MAOBALDH1A1 | |
| SCHEMBL28995951 | 0.92 | CYP1A2 (0.53) | CYP1A2CYP2A6TDP1MAOBALDH1A1 | |
| SCHEMBL29524488 | 0.76 | CYP2A6 (0.48) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL598829 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL29352143 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL7949503 | 0.76 | CYP2A6 (0.67) | CYP1A2CYP2A6TDP1MAOBALDH1A1 | |
| SCHEMBL3103031 | 0.76 | CYP2A6 (0.48) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL7822962 | 0.76 | CYP1A2 (0.63) | CYP1A2CYP2A6TDP1MAOBALDH1A1 | |
| SCHEMBL13755384 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27919233 | 0.74 | CYP1A2 (0.95) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025128805-A1 | A CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS | MERCK SHARP & DOHME LLC (US) | 2025-06-19 | — | — | WO | disclosed |
| WO-2023214325-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS | NOVARTIS AG (CH) | 2023-11-09 | — | — | WO | disclosed |