Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | BRAF | P15056 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5294212 | 0.83 | PARP10 (0.44) | GCKALDH1A1PARP10SMN1; SMN2MEN1 | |
| SCHEMBL16651380 | 0.78 | KDR (0.67) | KDRBRAFMEN1KMT2ARAF1 | |
| SCHEMBL177735 | 0.78 | KDR (0.67) | KDRBRAFMEN1KMT2ARAF1 | |
| SCHEMBL21772011 | 0.78 | TGFBR1 (0.39) | GCKALDH1A1 | |
| SCHEMBL3177144 | 0.76 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2MEN1KMT2AMITF | |
| SCHEMBL2889234 | 0.75 | GCK (0.52) | GCKKDRBRAFMEN1KMT2A | |
| SCHEMBL178049 | 0.74 | SMN1; SMN2 (0.45) | ALDH1A1BRAFHDAC3HDAC4HDAC1 | |
| SCHEMBL1619128 | 0.74 | HPGD (0.49) | KDRBRAFHDAC3HDAC4HDAC1 | |
| SCHEMBL11675308 | 0.74 | TDP1 (0.56) | ALDH1A1PARP10SMN1; SMN2KMT2AGAA | |
| SCHEMBL19281637 | 0.73 | MKNK1 (0.48) | ALDH1A1MEN1KMT2ACYP3A4ABL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1866302-B1 | PYRAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-07-27 | — | — | EP | claimed |
| EP-1866302-B1 | PYRAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| EP-1866302-A1 | PYRAZOLE DERIVATIVES | Merck Patent GmbH (DE) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006105844-A1 | PYRAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2006-10-12 | — | — | WO | disclosed |