Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7907929 | 0.81 | MEN1 (0.58) | ALDH1A1KMT2AMEN1LMNATSHR | |
| SCHEMBL11395399 | 0.77 | KDM5C (0.51) | ALDH1A1GLAKMT2AMEN1CYP2C9 | |
| SCHEMBL8381010 | 0.74 | SMN1; SMN2 (0.55) | ALDH1A1KMT2ALMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL8381193 | 0.73 | POLB (0.56) | ALDH1A1MAPK1KMT2AMEN1LMNA | |
| SCHEMBL4875267 | 0.72 | ALDH1A1 (0.79) | ALDH1A1MAPK1KMT2AMEN1SMN1; SMN2 | |
| Isophthalic Acid SCHEMBL8641745 | 0.72 | CA12 (0.58) | TSHRL3MBTL1CYP2C9HSD17B10 | |
| SCHEMBL14595391 | 0.71 | LMNA (0.62) | ALDH1A1MAPK1KMT2AMEN1LMNA | |
| SCHEMBL7900115 | 0.70 | MAPK1 (0.46) | ALDH1A1MAPK1TSHRALOX15MC4R | |
| SCHEMBL4874422 | 0.70 | KMT2A (0.66) | ALDH1A1MAPK1KMT2AMEN1LMNA | |
| SCHEMBL31151059 | 0.69 | MAPK1 (0.51) | ALDH1A1MAPK1KMT2ALMNATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0608759-B1 | Piperazine derivatives | MERCK PATENT GMBH (DE) | 2001-08-22 | — | — | EP | disclosed |
| US-5908843-A | Piperazine compounds as fibrinogen inhibitors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-06-01 | — | — | US | disclosed |
| EP-0608759-A2 | Piperazinderivatives | MERCK PATENT GmbH (DE) | 1994-08-03 | — | — | EP | disclosed |