Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL360125 | 0.85 | POLB (0.42) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL360270 | 0.82 | POLB (0.51) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL16146872 | 0.81 | POLB (0.54) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL16146525 | 0.80 | KDM4E (0.54) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL27911844 | 0.78 | KDM4E (0.53) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL16146870 | 0.76 | POLB (0.57) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL12505512 | 0.76 | POLB (0.60) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL364706 | 0.73 | NOTUM (0.45) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL23486526 | 0.72 | KDM4E (0.55) | NOTUMPOLBKDM4EALDH1A1LMNA | |
| SCHEMBL359101 | 0.72 | KDM4E (0.55) | NOTUMPOLBKDM4EALDH1A1LMNA |
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-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| 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 |