Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 4/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 4/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL8931041 | 0.87 | HSP90AA1 (0.40) | TDO2IDO2TRPV1HTR5AHSP90AA1 | |
| SCHEMBL13808428 | 0.82 | HSP90AA1 (0.39) | TDO2IDO2TRPV1HTR5AHSP90AA1 | |
| SCHEMBL14345588 | 0.79 | TDO2 (0.42) | TDO2IDO2HSP90AA1IDO1MEN1 | |
| SCHEMBL2596721 | 0.78 | TDO2 (0.39) | TDO2IDO2HSP90AA1IDO1MEN1 | |
| SCHEMBL931818 | 0.74 | HSP90AA1 (0.43) | HSP90AA1MEN1KMT2ADHODHCYP17A1 | |
| SCHEMBL8931043 | 0.70 | HSP90AA1 (0.68) | TDO2IDO2HTR5AHSP90AA1KDM4E | |
| SCHEMBL13983092 | 0.69 | HSP90AA1 (0.56) | TDO2IDO2HSP90AA1 | |
| SCHEMBL4936858 | 0.67 | HSP90AA1 (0.60) | HSP90AA1KMT2AKDM4EMAPTL3MBTL1 | |
| SCHEMBL930881 | 0.66 | HSP90AA1 (0.50) | HSP90AA1KMT2AKDM4EMAPTL3MBTL1 | |
| SCHEMBL930856 | 0.65 | HSP90AA1 (0.39) | TDO2IDO2HSP90AA1IDO1MEN1 |
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-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | disclosed |