Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 1/20 | 0.30 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.30 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24116929 | 1.00 | ERN1 (0.48) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL7184430 | 0.77 | ERN1 (0.52) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL14237093 | 0.74 | ERN1 (0.48) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL24116770 | 0.74 | ERN1 (0.48) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL1508673 | 0.71 | ERN1 (0.53) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL24105728 | 0.71 | ACHE (0.44) | MEN1KMT2AALDH1A1SMN1; SMN2TAAR1 | |
| SCHEMBL8745969 | 0.71 | LMNA (0.48) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL30266539 | 0.71 | ERN1 (0.53) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL4131581 | 0.70 | HSD11B1 (0.36) | MEN1KMT2ATAAR1 | |
| SCHEMBL777275 | 0.69 | TAAR1 (0.33) | ALDH1A1SMN1; SMN2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |