Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 8/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1992762 | 0.79 | CDK2 (0.49) | GRM5MAPTKDM4EMEN1NPC1 | |
| SCHEMBL31470548 | 0.77 | SMPD3 (0.44) | SMPD3KDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL1991466 | 0.72 | KIT (0.51) | GRM5 | |
| SCHEMBL1996090 | 0.72 | GRM5 (0.44) | GRM5MEN1NPC1KMT2AADORA2A | |
| SCHEMBL4395064 | 0.70 | SMPD3 (0.52) | SMPD3KDR | |
| SCHEMBL403731 | 0.68 | GRM5 (0.61) | GRM5MAPTKDM4EMEN1NPC1 | |
| SCHEMBL22834525 | 0.67 | SMPD3 (0.48) | SMPD3KDR | |
| SCHEMBL21893829 | 0.67 | SMPD3 (0.48) | SMPD3KDR | |
| Hydrochloric Acid SCHEMBL22835004 | 0.66 | SMPD3 (0.47) | SMPD3KDR | |
| Hydrochloric Acid SCHEMBL22834582 | 0.66 | SMPD3 (0.47) | SMPD3MAPTKDR |
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-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |