Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | RBP4 | P02753 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28969774 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4ERBP4BRD4BRDT | |
| SCHEMBL24117078 | 0.88 | CACNA1C (0.48) | ALDH1A1KDM4EMAPTGAACACNA1F | |
| SCHEMBL30266638 | 0.88 | CACNA1C (0.48) | ALDH1A1KDM4EMAPTGAACACNA1F | |
| SCHEMBL28969739 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KDM4EBRD4BRDTABCC9 | |
| SCHEMBL28969745 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KDM4EBRD4BRDTABCC9 | |
| SCHEMBL7102178 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KDM4EABCC9ABCC8KCNJ11 | |
| SCHEMBL28969778 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EBRD4BRDTABCC9 | |
| SCHEMBL28969769 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EBRD4BRDTABCC9 | |
| SCHEMBL28969773 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EBRD4BRDTABCC9 | |
| SCHEMBL28969753 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EBRD4BRDTABCC9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115836076-A | Methyl 2- (fluoromethyl) -5-oxo-4-phenyl-4,5,6,7-tetrahydro-1H-cyclopenta [ B ] pyridine-3-carboxylate and methyl 2- (fluoromethyl) -5-oxo-4-phenyl-1,4,5,7-tetrahydrofuro [3,4-B ] pyridine-3-carboxylate as CAV1.2 activators | 诺华股份有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-115836076-A | Methyl 2- (fluoromethyl) -5-oxo-4-phenyl-4,5,6,7-tetrahydro-1H-cyclopenta [ B ] pyridine-3-carboxylate and methyl 2- (fluoromethyl) -5-oxo-4-phenyl-1,4,5,7-tetrahydrofuro [3,4-B ] pyridine-3-carboxylate as CAV1.2 activators | 诺华股份有限公司 | 2023-03-21 | — | — | CN | disclosed |