Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | FEN1 | P39748 | 3/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2598144 | 0.89 | LMNA (0.43) | CTSBHTR2CCYP3A4TSHR | |
| SCHEMBL8377616 | 0.74 | TSHR (0.46) | ENPP2TSHR | |
| SCHEMBL48859 | 0.74 | ENPP2 (0.43) | ENPP2TSHR | |
| SCHEMBL29469201 | 0.72 | CA2 (0.50) | CYP2C9 | |
| SCHEMBL16599651 | 0.72 | FEN1 (0.38) | CTSBRBP4HTR2AFEN1ALOX5AP | |
| SCHEMBL1490894 | 0.72 | CA2 (0.50) | CYP2C9 | |
| SCHEMBL15676829 | 0.72 | CTSB (0.64) | CTSBHTR2AFEN1ALOX5APHTR2C | |
| SCHEMBL29670227 | 0.71 | PSIP1 (0.45) | CTSBENPP2COMTCYP3A4CYP2C9 | |
| SCHEMBL289765 | 0.71 | PSIP1 (0.45) | CTSBENPP2COMTCYP3A4CYP2C9 | |
| SCHEMBL13380519 | 0.71 | GAA (0.56) | FEN1ALOX5APCYP3A4CYP2C9 |
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-2252595-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |