Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008068 | 0.94 | GAA (0.54) | GAAKDM4ERECQLAOC3OPRM1 | |
| Trifluoroacetic Acid SCHEMBL8006053 | 0.92 | GAA (0.51) | GAAKDM4ERECQLAOC3OPRM1 | |
| SCHEMBL30332131 | 0.92 | GAA (0.67) | GAAKDM4ERECQLCHRM4ALDH1A1 | |
| SCHEMBL8005728 | 0.91 | GAA (0.53) | GAAKDM4ERECQLAOC3CHRM4 | |
| SCHEMBL8008419 | 0.86 | KDM2B (0.50) | GAAKDM4ERECQLOPRM1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL7996066 | 0.80 | KDM2B (0.45) | GAAKDM4ERECQLOPRM1OPRK1 | |
| SCHEMBL8006273 | 0.80 | GRM5 (0.46) | GAAKDM4ERECQLCHRM4ALDH1A1 | |
| SCHEMBL2558711 | 0.79 | NOTUM (0.55) | GAAKDM4ERECQLCHRM4GRM5 | |
| SCHEMBL8007983 | 0.79 | PDCD1 (0.43) | KDM4ECHRM4ALDH1A1GRM5PDCD1 | |
| SCHEMBL7843992 | 0.79 | PDCD1 (0.42) | GAAKDM4EOPRM1OPRK1OGFRL1 |
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-6143750-A | NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS | MERCK & CO., INC. (US) | 2000-11-07 | — | — | US | disclosed |