Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9726812 | 0.83 | ACHE (0.58) | ACHEALDH1A1CYP3A4CTNNB1WNT3A | |
| SCHEMBL12509335 | 0.82 | SIRT1 (0.51) | ALDH1A1CYP3A4MAPTHTTNPSR1 | |
| SCHEMBL30482833 | 0.82 | SRC (0.58) | ACHEALDH1A1CYP3A4MAPTHTT | |
| SCHEMBL30100430 | 0.82 | CSNK2A1 (0.59) | ACHEALDH1A1CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL1210111 | 0.82 | SRC (0.58) | ACHEALDH1A1CYP3A4MAPTHTT | |
| SCHEMBL91954 | 0.82 | CSNK2A1 (0.59) | ACHEALDH1A1CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL1505444 | 0.80 | HSP90AA1 (0.57) | ACHEALDH1A1CYP3A4MAPTHTT | |
| SCHEMBL11365109 | 0.80 | ACHE (0.54) | ACHEALDH1A1CYP3A4KCNMA1CTNNB1 | |
| SCHEMBL6997956 | 0.80 | ACHE (0.54) | ACHEALDH1A1CYP3A4KCNMA1CTNNB1 | |
| SCHEMBL2190365 | 0.80 | ACHE (0.59) | ACHEALDH1A1CYP3A4CTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |