Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | LDHA | P00338 | 2/20 | 0.44 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 2/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23535740 | 0.86 | MCL1 (0.47) | MCL1KDM5BCYP4F2CYP4A11HCAR3 | |
| SCHEMBL19277419 | 0.83 | CYP4F2 (0.43) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| SCHEMBL29689591 | 0.83 | KDM5B (0.44) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| SCHEMBL29218244 | 0.81 | KDM5B (0.42) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| SCHEMBL30895651 | 0.81 | KDM5B (0.42) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| SCHEMBL26130683 | 0.81 | KDM5B (0.42) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| SCHEMBL31434739 | 0.81 | FLT3 (0.45) | MCL1KDM5BCYP4F2CYP4A11FGFR1 | |
| Fluoride SCHEMBL14796503 | 0.80 | ACHE (0.43) | MCL1KDM5BCYP4F2CYP4A11HCAR3 | |
| SCHEMBL5139638 | 0.80 | ACHE (0.43) | MCL1KDM5BCYP4F2CYP4A11HCAR3 | |
| SCHEMBL16896639 | 0.79 | CYP4F2 (0.48) | MCL1KDM5BCYP4F2CYP4A11FGFR1 |
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 |