Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14034383 | 0.88 | MAPT (0.49) | ALDH1A1GAADHODHMEN1MAPT | |
| SCHEMBL14034296 | 0.86 | ALDH1A1 (0.54) | ALDH1A1GAADHODHPKMCYP19A1 | |
| SCHEMBL14034221 | 0.84 | CSNK2A2 (0.46) | ALDH1A1GAADHODHCSNK2A2CSNK2B | |
| SCHEMBL4247635 | 0.82 | ACHE (0.49) | MAPK14ALDH1A1GAADHODHPKM | |
| SCHEMBL4857363 | 0.82 | ALDH1A1 (0.48) | ALDH1A1GAADHODHPKMTOP1 | |
| SCHEMBL15919273 | 0.81 | ESR1 (0.47) | MAPK14ALDH1A1GAADHODHPKM | |
| SCHEMBL15919444 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAADHODHPKMTOP1 | |
| SCHEMBL12525154 | 0.80 | ALDH1A1 (0.61) | ALDH1A1GAADHODHTOP1CYP19A1 | |
| SCHEMBL4252230 | 0.78 | ALDH1A1 (0.69) | ALDH1A1GAADHODHCSNK2A2CSNK2B | |
| SCHEMBL14034400 | 0.78 | MEN1 (0.49) | MAPK14ALDH1A1DHODHMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7446112-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-04 | — | — | US | disclosed |