Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22902609 | 0.81 | LCK (0.38) | IKBKBKDM4EGAAMAPTPARP1 | |
| SCHEMBL29790141 | 0.81 | IKBKB (0.41) | IKBKBIRAK4KDM4ESLC9A1NPC1 | |
| SCHEMBL22902460 | 0.79 | ADORA2A (0.42) | IRAK4KDM4ENPC1GAAKMT2A | |
| SCHEMBL29790088 | 0.79 | ADORA2A (0.42) | IRAK4KDM4ENPC1GAAKMT2A | |
| SCHEMBL29789954 | 0.71 | IKBKB (0.42) | IKBKBIRAK4KDM4ENPC1GAA | |
| SCHEMBL29790129 | 0.66 | IKBKB (0.42) | IKBKBIRAK4KDM4ESLC9A1NPC1 | |
| SCHEMBL4497379 | 0.66 | MEN1 (0.54) | IKBKBKDM4EGAAMEN1MAPT | |
| SCHEMBL29932906 | 0.64 | DAO (0.60) | IKBKBIRAK4KDM4ESLC9A1MAPT | |
| SCHEMBL11983168 | 0.64 | DAO (0.60) | IKBKBIRAK4KDM4ESLC9A1MAPT | |
| SCHEMBL1004596 | 0.62 | KDM4E (0.63) | IKBKBIRAK4KDM4EGAAMEN1 |
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-3999508-A1 | TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-05-25 | — | — | EP | disclosed |