Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13477709 | 0.90 | MTNR1A (0.35) | MTNR1AMTNR1BHDAC3HDAC1HDAC2 | |
| SCHEMBL20879031 | 0.74 | HDAC3 (0.39) | MTNR1AMTNR1BHDAC3HDAC1HDAC2 | |
| SCHEMBL20879118 | 0.74 | MTNR1A (0.44) | MTNR1AMTNR1BHDAC3HDAC1HDAC2 | |
| SCHEMBL500655 | 0.72 | HSP90AB1 (0.50) | HSP90AA1 | |
| SCHEMBL501271 | 0.72 | HSP90AB1 (0.51) | HSP90AA1 | |
| SCHEMBL13477645 | 0.71 | HSP90AA1 (0.32) | HDAC3HDAC1HDAC2HDAC11HDAC8 | |
| SCHEMBL22667590 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL20879039 | 0.69 | TDP1 (0.43) | — | |
| SCHEMBL15604263 | 0.68 | ERBB2 (0.40) | MTNR1AMTNR1BHDAC3HDAC1HDAC2 | |
| SCHEMBL13833713 | 0.67 | HSP90AA1 (0.42) | HSP90AA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010017545-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARAMCEUTICALS CORP. (US) | 2010-02-11 | — | — | WO | disclosed |