Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3353616 | 0.82 | ALDH1A1 (0.68) | IRAK4TP53ALDH1A1CDK5CDK5R1 | |
| SCHEMBL12875862 | 0.82 | RAB9A (0.59) | IRAK4TP53ALDH1A1CDK5CDK5R1 | |
| SCHEMBL1683935 | 0.75 | PLA2G4A (0.56) | ALDH1A1MAPTL3MBTL1HDAC1HDAC8 | |
| SCHEMBL10029550 | 0.74 | TP53 (0.59) | TP53ALDH1A1CDK5CDK5R1MAPT | |
| SCHEMBL17742732 | 0.73 | HDAC1 (0.60) | ALDH1A1MAPTL3MBTL1HDAC1HDAC8 | |
| SCHEMBL12266908 | 0.72 | CYP2E1 (0.57) | TP53ALDH1A1CDK5CDK5R1MAPT | |
| SCHEMBL12875865 | 0.72 | TP53 (0.56) | TP53ALDH1A1CDK5CDK5R1MAPT | |
| SCHEMBL14564380 | 0.70 | RAB9A (0.58) | ALDH1A1MAPTPOLBTRPM8NPC1 | |
| SCHEMBL12875867 | 0.70 | TP53 (0.55) | TP53ALDH1A1CDK5CDK5R1MAPT | |
| SCHEMBL28469678 | 0.70 | MAPT (0.59) | IRAK4ALDH1A1MAPTRAB9AL3MBTL1 |
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-2970334-B1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |