Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 15/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 15/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 10/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 10/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28969763 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL24116899 | 0.89 | KDM4E (0.37) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL30266620 | 0.89 | KDM4E (0.37) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL24122380 | 0.89 | KDM4E (0.37) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969769 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969773 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969811 | 0.84 | ABCC9 (0.38) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969794 | 0.84 | ABCC9 (0.38) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969739 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL28969745 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAGAAMAPT |
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 |