Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL10280429 | 0.86 | TAAR1 (0.51) | TAAR1ALDH1A1MAPTTDP1NPC1 | |
| SCHEMBL16146269 | 0.83 | IRAK1 (0.60) | IRAK1IRAK4MAPK14BRD4HDAC3 | |
| SCHEMBL10254666 | 0.83 | IRAK1 (0.46) | IRAK1IRAK4MAPK14BRD4HDAC3 | |
| SCHEMBL358342 | 0.82 | ACACB (0.51) | IRAK1IRAK4MAPK14DRD2KDM4E | |
| Hydrochloric Acid SCHEMBL16146311 | 0.82 | IRAK1 (0.59) | IRAK1IRAK4MAPK14BRD4HDAC3 | |
| SCHEMBL28287809 | 0.75 | HDAC2 (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL16146265 | 0.71 | IRAK1 (0.58) | IRAK1IRAK4MAPK14BRD4OPRM1 | |
| Hydrochloric Acid SCHEMBL12505472 | 0.70 | IRAK1 (0.57) | IRAK1IRAK4MAPK14BRD4OPRM1 | |
| SCHEMBL10259263 | 0.69 | TAAR1 (0.49) | TAAR1ALDH1A1MAPTTDP1NPC1 | |
| SCHEMBL358097 | 0.69 | TAAR1 (0.49) | MAPK14TAAR1KDM4EALDH1A1MAPT |
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-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |