Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 5/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21735221 | 0.83 | ALDH1A1 (0.39) | MAOBMAOAPTPN1LMNATSHR | |
| SCHEMBL22629185 | 0.80 | ALOX15 (0.35) | ACHE | |
| SCHEMBL21735528 | 0.80 | PTPN1 (0.53) | MAOBPTPN1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL20473374 | 0.77 | MAOB (0.46) | MAOBMAOAPTPN1 | |
| SCHEMBL30568042 | 0.77 | MAOB (0.46) | MAOBMAOAPTPN1 | |
| SCHEMBL9825775 | 0.70 | HDAC6 (0.35) | SLC6A4MAOBMAOAHSD17B10ALDH1A1 | |
| SCHEMBL12798321 | 0.68 | S100A4 (0.46) | LMNATSHRKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL5751035 | 0.66 | CYP2A6 (0.52) | SLC6A4SLC6A2SLC6A3HRH3LMNA | |
| SCHEMBL22630058 | 0.66 | ALOX5 (0.48) | PTPN1 | |
| SCHEMBL21735218 | 0.66 | ALDH1A1 (0.41) | MAOBMAOAKDM4ESMN1; SMN2HSD17B10 |
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-3583091-B1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |