Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 13/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2652477 | 0.89 | SMN1; SMN2 (0.57) | SMN1; SMN2GAANPC1RAB9AMEN1 | |
| SCHEMBL2654333 | 0.82 | HDAC3 (0.58) | NPC1RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL9107032 | 0.81 | HDAC3 (0.65) | NPC1RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL2653061 | 0.81 | HTT (0.51) | SMN1; SMN2GAANPC1RAB9AHDAC3 | |
| SCHEMBL9110617 | 0.80 | HDAC3 (0.59) | SMN1; SMN2GAANPC1RAB9AHDAC3 | |
| SCHEMBL4606214 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2GAANPC1RAB9AHDAC3 | |
| SCHEMBL2654355 | 0.78 | CA12 (0.48) | SMN1; SMN2GAANPC1RAB9AMEN1 | |
| SCHEMBL11699263 | 0.78 | CA1 (0.71) | SMN1; SMN2GAANPC1RAB9AMEN1 | |
| SCHEMBL9109090 | 0.77 | HDAC3 (0.74) | GAANPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL3008746 | 0.77 | SMN1; SMN2 (0.56) | SMN1; SMN2GAANPC1RAB9AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1940799-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007047676-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1756064-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| EP-0631571-A1 | PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. | DU PONT (US) | 1995-01-04 | — | — | EP | disclosed |