Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30221947 | 0.80 | MEN1 (0.59) | ALDH1A1NPSR1MAPK1MEN1KMT2A | |
| SCHEMBL21994678 | 0.78 | MEN1 (0.51) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL810108 | 0.78 | MEN1 (0.51) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL21994368 | 0.78 | MEN1 (0.48) | ALDH1A1MEN1KMT2APOLBTDP1 | |
| SCHEMBL30065513 | 0.74 | ALOX5 (0.46) | ALDH1A1NPSR1MEN1KMT2ALMNA | |
| SCHEMBL20271516 | 0.73 | SMN1; SMN2 (0.73) | ALDH1A1MAPK1MEN1KMT2ALMNA | |
| Bicarbonate SCHEMBL15226074 | 0.73 | SMN1; SMN2 (0.63) | ALDH1A1MAPK1MEN1KMT2ALMNA | |
| SCHEMBL15225951 | 0.72 | SMN1; SMN2 (0.71) | ALDH1A1MAPK1MEN1KMT2ALMNA | |
| SCHEMBL32674342 | 0.72 | CA2 (0.47) | ALDH1A1NPSR1MEN1KMT2APOLB | |
| SCHEMBL31062539 | 0.71 | MEN1 (0.46) | MEN1KMT2APOLBTDP1F2 |
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-113166101-A | Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders | 诺华股份有限公司 | 2021-07-23 | — | — | CN | disclosed |