Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22710652 | 0.85 | HTT (0.45) | CYP2C19HTTSMN1; SMN2KMT2ATSHR | |
| SCHEMBL26920776 | 0.85 | FFAR4 (0.46) | HTTKMT2ATSHRMEN1GAA | |
| SCHEMBL26920833 | 0.85 | FFAR4 (0.46) | HTTKMT2ATSHRMEN1GAA | |
| SCHEMBL8560063 | 0.81 | ALDH1A1 (0.44) | HTTTSHRALDH1A1HSD17B10GAA | |
| SCHEMBL14306296 | 0.76 | KCNN4 (0.43) | CYP2C19HTTKMT2ATSHRMEN1 | |
| SCHEMBL4450821 | 0.76 | KCNN4 (0.43) | CYP2C19HTTKMT2ATSHRMEN1 | |
| SCHEMBL14676221 | 0.76 | ATM (0.44) | CYP2C19HTTSMN1; SMN2KMT2ATSHR | |
| Methylphenylsulfone SCHEMBL28097191 | 0.76 | KIF11 (0.37) | CYP2C19HTTSMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL28404277 | 0.76 | CYP2C19 (0.51) | CYP2C19HTTSMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL21151863 | 0.76 | ALDH1A1 (0.58) | CYP2C19HTTSMN1; SMN2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5792451-A | AMINO ACID DERIVATIVES AS CARRIERS FOR SENSITIVE AGENTS SUCH AS BIOACTIVE PEPTIDES | EMISPHERE TECHNOLOGIES, INC. (US) | 1998-08-11 | — | — | US | claimed |