Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1148433 | 0.84 | NPC1 (0.38) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL5329381 | 0.74 | TRPA1 (0.40) | TP53GAAALDH1A1 | |
| SCHEMBL930752 | 0.73 | KCNMA1 (0.43) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL3973590 | 0.69 | KCNMA1 (0.38) | RAB9ASMN1; SMN2MAPK1POLBGAA | |
| SCHEMBL4088457 | 0.69 | KCNMA1 (0.36) | POLBCYP1A2 | |
| SCHEMBL4089989 | 0.69 | MGAM (0.35) | GAA | |
| SCHEMBL3974423 | 0.68 | KDM4E (0.36) | ALDH1A1KMT2A | |
| SCHEMBL4083237 | 0.68 | ALDH1A1 (0.37) | NPC1RAB9APOLBGAAHPGD | |
| SCHEMBL3973050 | 0.67 | ALDH1A1 (0.36) | SMN1; SMN2POLBGAAHPGDCYP2C9 | |
| SCHEMBL4077177 | 0.67 | KDM4E (0.39) | RAB9ASMN1; SMN2POLBGAAHPGD |
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 |