Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345357 | 0.82 | PTGS2 (0.60) | MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL12018972 | 0.82 | PTGS2 (0.60) | MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7978476 | 0.81 | GABRA1 (0.36) | ALDH1A1TYRALOX12HTTPTGS1 | |
| SCHEMBL14553634 | 0.77 | HTT (0.45) | SMN1; SMN2KDM4EALDH1A1TYRHTT | |
| SCHEMBL4227994 | 0.76 | TP53BP1 (0.48) | MAPTSMN1; SMN2KDM4EALDH1A1HDAC4 | |
| SCHEMBL20463238 | 0.76 | PTGS1 (0.49) | KDM4EALDH1A1CYP3A4CA1CA2 | |
| SCHEMBL13782197 | 0.74 | HDAC1 (0.43) | HDAC2TP53BP1PTGS1PTGS2HIF1A | |
| SCHEMBL10775625 | 0.72 | SMN1; SMN2 (0.48) | MAPTSMN1; SMN2KDM4EALDH1A1HDAC4 | |
| SCHEMBL515423 | 0.72 | ATM (0.48) | HDAC2 | |
| SCHEMBL515424 | 0.72 | ATM (0.48) | HDAC2 |
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-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |