Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 9/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12615187 | 0.91 | F10 (0.47) | F10MAPK1 | |
| SCHEMBL25389157 | 0.80 | HDAC4 (0.48) | F10CNR2HDAC3HDAC1HDAC2 | |
| SCHEMBL12124301 | 0.73 | SMYD3 (0.62) | CHRM4KDM1AHDAC3HDAC1HDAC2 | |
| SCHEMBL1403718 | 0.73 | HPGD (0.51) | — | |
| SCHEMBL7264799 | 0.72 | RAB9A (0.45) | — | |
| SCHEMBL6907136 | 0.72 | MAPK11 (0.49) | CHRM4 | |
| SCHEMBL12124282 | 0.72 | NPC1 (0.71) | KDM1ADYRK1ADYRK1B | |
| SCHEMBL20288122 | 0.72 | MAPK1 (0.47) | KDM1AMAPK1MAPK3 | |
| SCHEMBL31171408 | 0.71 | HPGD (0.51) | KDM1ACNR2HPGDS | |
| SCHEMBL11651535 | 0.71 | HPGD (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427459-A1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |