Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 3/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17426079 | 0.89 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1LMNATHRB | |
| SCHEMBL19290851 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KMT2AMEN1LMNATHRB | |
| SCHEMBL18306073 | 0.77 | MEN1 (0.49) | ALDH1A1KMT2AMEN1LMNATHRB | |
| SCHEMBL19290856 | 0.77 | MEN1 (0.57) | ALDH1A1KMT2AMEN1LMNATHRB | |
| SCHEMBL19338989 | 0.75 | THRB (0.41) | ALDH1A1KMT2AMEN1THRBTP53 | |
| SCHEMBL19290850 | 0.75 | THRB (0.41) | ALDH1A1KMT2AMEN1THRBTP53 | |
| SCHEMBL19417077 | 0.75 | THRB (0.41) | ALDH1A1KMT2AMEN1THRBTP53 | |
| SCHEMBL17426075 | 0.73 | KMT2A (0.44) | ALDH1A1KMT2AMEN1LMNATHRB | |
| SCHEMBL17426077 | 0.72 | THRB (0.42) | ALDH1A1KMT2AMEN1THRB | |
| SCHEMBL22554949 | 0.69 | ELANE (0.35) | ALDH1A1LMNATHRBELANECTSG |
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-2964220-B1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME (US) | 2017-10-04 | — | — | EP | disclosed |
| EP-2964223-B1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME (US) | 2017-09-13 | — | — | EP | disclosed |