Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8103329 | 0.96 | PPARA (0.40) | GRIK1MCL1PPARAALDH1A1GAA | |
| SCHEMBL4452595 | 0.84 | MAOB (0.50) | GRIK1MCL1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL4452592 | 0.84 | MAOB (0.50) | GRIK1MCL1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL8103325 | 0.77 | GRIK1 (0.39) | GRIK1MCL1ALDH1A1GAAPOLB | |
| SCHEMBL7728991 | 0.76 | GRIK1 (0.41) | GRIK1MCL1ALDH1A1POLBHDAC3 | |
| SCHEMBL8103328 | 0.71 | TDP1 (0.40) | GRIK1MCL1ALDH1A1GAAHDAC3 | |
| SCHEMBL27635900 | 0.71 | MAOB (0.50) | GRIK1MCL1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL1085605 | 0.71 | GRIK1 (0.57) | GRIK1MCL1ALDH1A1POLBHDAC3 | |
| SCHEMBL1614745 | 0.70 | MAOB (0.54) | GRIK1MCL1ALDH1A1HDAC3HDAC4 | |
| SCHEMBL1614744 | 0.70 | MAOB (0.54) | GRIK1MCL1ALDH1A1HDAC3HDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |