Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1147848 | 0.87 | MTNR1A (0.35) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL1148223 | 0.80 | MTNR1A (0.37) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL1343239 | 0.79 | MTNR1A (0.41) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL1148396 | 0.77 | HSP90AA1 (0.43) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL4788159 | 0.77 | MTNR1A (0.39) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL1148377 | 0.77 | ALDH1A1 (0.36) | ALDH1A1KDM4EMEN1KMT2AHSD17B10 | |
| SCHEMBL1148596 | 0.76 | MTNR1A (0.34) | ALDH1A1KDM4EMTNR1AMEN1KMT2A | |
| SCHEMBL3974423 | 0.76 | KDM4E (0.36) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL4788164 | 0.74 | ALDH1A1 (0.37) | ALDH1A1KDM4EMTNR1AHTR1AHTR1D | |
| SCHEMBL1148338 | 0.74 | HSP90AA1 (0.38) | ALDH1A1KDM4EHTR1AHSD17B10MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054059-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-05-06 | — | — | EP | claimed |
| WO-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | claimed |