Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ATR | Q13535 | 2/20 | 0.42 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19826656 | 0.89 | LRRK2 (0.48) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19815518 | 0.89 | LRRK2 (0.48) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19816364 | 0.87 | MAPT (0.47) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19815737 | 0.86 | MAPT (0.47) | NPSR1MAPK1ALDH1A1TSHRKDM4E | |
| SCHEMBL19815752 | 0.84 | TP53 (0.46) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19815575 | 0.84 | TP53 (0.47) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19815955 | 0.83 | TP53 (0.47) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19816008 | 0.82 | TP53 (0.46) | NPSR1MAPK1ALDH1A1TSHRLRRK2 | |
| SCHEMBL19826692 | 0.81 | POLB (0.53) | ALDH1A1LRRK2MAPT | |
| SCHEMBL19826845 | 0.81 | LRRK2 (0.50) | NPSR1MAPK1ALDH1A1TSHRLRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018021977-A1 | GLYCINE METABOLISM MODULATORS AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-01 | — | — | WO | disclosed |