Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| Isoleucine SCHEMBL6040098 | 1.00 | SLC7A5 (0.53) | SLC7A5TSHRGPR88ALDH1A1KDM4E | |
| Threonine SCHEMBL6040179 | 0.85 | SLC7A5 (0.56) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| Threonine SCHEMBL6040177 | 0.85 | SLC7A5 (0.56) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| Alanine SCHEMBL6040106 | 0.85 | SLC7A5 (0.61) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| Alanine SCHEMBL6040105 | 0.85 | SLC7A5 (0.61) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| Benzene SCHEMBL28096336 | 0.79 | ALDH1A1 (0.62) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| SCHEMBL1870609 | 0.79 | ALDH1A1 (0.62) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| SCHEMBL4675 | 0.79 | ALDH1A1 (0.62) | SLC7A5TSHRALDH1A1KDM4ELMNA | |
| Isoleucine SCHEMBL28297578 | 0.79 | SLC1A3 (0.47) | SLC7A5SLC1A3SLC1A2SLC1A1MEN1 | |
| Phenylalanine SCHEMBL6040140 | 0.78 | SLC7A5 (0.78) | SLC7A5TSHRALDH1A1KDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |