Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28969750 | 1.00 | NR1I2 (0.43) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL28969787 | 0.90 | ALDH1A1 (0.39) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL24116895 | 0.89 | NR1I2 (0.55) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL24116896 | 0.89 | NR1I2 (0.55) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL30266531 | 0.89 | NR1I2 (0.55) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL7095670 | 0.86 | ALDH1A1 (0.50) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL28969778 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL28969753 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL24116939 | 0.80 | NR1I2 (0.45) | NR1I2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL30266669 | 0.80 | NR1I2 (0.45) | NR1I2ALDH1A1KDM4EMAPTRAB9A |
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 |