Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7728991 | 0.89 | GRIK1 (0.41) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL4452595 | 0.81 | MAOB (0.50) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL4452592 | 0.81 | MAOB (0.50) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL8103328 | 0.80 | TDP1 (0.40) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL7728995 | 0.77 | GRIK1 (0.39) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL8103329 | 0.76 | PPARA (0.40) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL8674472 | 0.73 | CYP1A2 (0.34) | GRIK1CYP1A2CYP2C9HPGDLMNA | |
| SCHEMBL1614744 | 0.71 | MAOB (0.54) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL1614745 | 0.71 | MAOB (0.54) | GRIK1CYP1A2CYP2C9HPGDMCL1 | |
| SCHEMBL3381910 | 0.69 | — | — |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |