Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.47 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1483201 | 0.89 | MAPT (0.52) | LMNAMAPTHTTHDAC3HDAC1 | |
| SCHEMBL30601548 | 0.86 | ALDH1A1 (0.67) | HPGDALDH1A1MAPK1CYP3A4LMNA | |
| SCHEMBL898467 | 0.86 | ALDH1A1 (0.67) | HPGDALDH1A1MAPK1CYP3A4LMNA | |
| SCHEMBL27542071 | 0.81 | BACE1 (0.56) | HPGDALDH1A1MAPK1CYP3A4MEN1 | |
| SCHEMBL22319299 | 0.78 | ALDH1A1 (0.57) | HPGDALDH1A1MAPK1CYP3A4LMNA | |
| SCHEMBL11308149 | 0.76 | CHEK1 (0.59) | HPGDALDH1A1LMNAMAPTPDE4A | |
| SCHEMBL19968665 | 0.76 | MAPT (0.52) | LMNAMAPTHDAC3HDAC1HSD11B1 | |
| Acetophenone SCHEMBL1481981 | 0.76 | MAPT (0.58) | LMNAMAPTHDAC8SMN1; SMN2AKR1C3 | |
| SCHEMBL27918808 | 0.76 | ACMSD (0.63) | AKR1C3AKR1C2 | |
| SCHEMBL1180221 | 0.76 | LCK (0.58) | HPGDALDH1A1MAPK1CYP3A4LMNA |
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 |