Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9027753 | 1.00 | KMT2A (0.53) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL9027766 | 1.00 | KMT2A (0.53) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL18150694 | 0.86 | KMT2A (0.51) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL18150553 | 0.86 | KMT2A (0.71) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL18150752 | 0.84 | KMT2A (0.59) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL18151005 | 0.84 | KMT2A (0.51) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL16796874 | 0.83 | HCRTR2 (0.64) | KMT2AMEN1HCRTR1HCRTR2SIGMAR1 | |
| SCHEMBL22849444 | 0.82 | HCRTR2 (0.53) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL20719766 | 0.79 | HCRTR2 (0.55) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL9167742 | 0.79 | THRB (0.52) | KMT2AMEN1HCRTR1HCRTR2ALDH1A1 |
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-0600952-B1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME (GB) | 1996-04-17 | — | — | EP | disclosed |
| US-5459270-A | Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders | MERCK SHARP & DOHME LIMITED (GB) | 1995-10-17 | — | — | US | disclosed |
| EP-0528495-A1 | Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them | MERCK SHARP & DOHME LTD. (GB) | 1993-02-24 | — | — | EP | disclosed |