Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 10/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27926140 | 0.98 | SIGMAR1 (0.57) | SIGMAR1HSD17B1HSD17B2PARP1LMNA | |
| SCHEMBL4606083 | 0.82 | PARP1 (0.52) | SIGMAR1HSD17B1HSD17B2PARP1LMNA | |
| SCHEMBL2531803 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E | |
| SCHEMBL29674755 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E | |
| SCHEMBL2088201 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E | |
| SCHEMBL1684295 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E | |
| SCHEMBL6632095 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2PARP1LMNA | |
| SCHEMBL30229852 | 0.82 | HSD17B1 (0.57) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E | |
| SCHEMBL9857435 | 0.81 | SIGMAR1 (0.51) | SIGMAR1HSD17B1HSD17B2PARP1LMNA | |
| SCHEMBL30937218 | 0.81 | HSD17B1 (0.55) | SIGMAR1HSD17B1HSD17B2LMNAKDM4E |
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-2023116390-A1 | PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2023-06-29 | — | — | WO | disclosed |