Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL7119151 | 0.92 | EPHX1 (0.36) | EPHX1TDP1CASP2CNR2MAOA | |
| SCHEMBL28356569 | 0.85 | EPHX1 (0.52) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL28353159 | 0.85 | EPHX1 (0.52) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL29226170 | 0.85 | EPHX1 (0.52) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL11098214 | 0.82 | EPHX1 (0.48) | EPHX1CASP2CNR2FAAHTSHR | |
| SCHEMBL14644951 | 0.81 | EPHX1 (0.53) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL29285179 | 0.80 | TDP1 (0.36) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL28824126 | 0.78 | EPHX1 (0.46) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL28013640 | 0.77 | EPHX1 (0.52) | EPHX1CASP2CNR2FAAHZDHHC20 | |
| SCHEMBL28014306 | 0.77 | EPHX1 (0.52) | EPHX1CASP2CNR2FAAHZDHHC20 |
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-2011009484-A1 | ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | disclosed |