Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16896607 | 0.90 | HRH3 (0.47) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| SCHEMBL29505292 | 0.90 | HRH3 (0.47) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| Hydrochloric Acid SCHEMBL29505368 | 0.90 | HRH3 (0.46) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| Hydrochloric Acid SCHEMBL16896479 | 0.90 | HRH3 (0.46) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| SCHEMBL16896433 | 0.87 | HRH3 (0.47) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| SCHEMBL28375017 | 0.85 | PLAU (0.42) | HRH3 | |
| SCHEMBL22769539 | 0.84 | HRH3 (0.43) | HRH3IRAK1IRAK4HDAC3HDAC1 | |
| SCHEMBL30461092 | 0.84 | HRH3 (0.43) | HRH3IRAK1IRAK4HDAC3HDAC1 | |
| SCHEMBL22769537 | 0.83 | HRH3 (0.43) | HRH3IRAK1IRAK4PIK3CDCYP3A4 | |
| SCHEMBL16896364 | 0.75 | PLAU (0.45) | HRH3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362966-B | Bicyclic heterocyclic derivatives as IRAK4 inhibitors | 奥列基因发现技术有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-111362966-A | Bicyclic heterocyclic derivatives as IRAK4 inhibitors | 奥列基因发现技术有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-106456619-B | Bicyclic heterocyclic derivatives as IRAK4 inhibitors | 奥列基因发现技术有限公司 | 2020-03-27 | — | — | CN | disclosed |