Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 3/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9750232 | 0.82 | SMYD3 (0.45) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL19900296 | 0.81 | SMYD3 (0.44) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL113378 | 0.80 | SMYD3 (0.55) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL29489099 | 0.80 | SMYD3 (0.55) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| Hydrochloric Acid SCHEMBL7557776 | 0.79 | SMYD3 (0.54) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL4280154 | 0.79 | AR (0.62) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL29522657 | 0.79 | AR (0.62) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL3126130 | 0.79 | IMPDH2 (0.53) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL12765931 | 0.79 | SMYD3 (0.50) | HIPK2SMYD3CYP3A4IMPDH2KDM2B | |
| SCHEMBL28437816 | 0.76 | SMYD3 (0.58) | SMYD3IMPDH2AKT1HDAC3HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114727950-A | 1- (((2S,3S,4S) -3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl) methoxy) -7-methoxyisoquinoline-6-carboxamide combinations and oral dosage forms | 辉瑞大药厂 | 2022-07-08 | — | — | CN | disclosed |
| CN-113423427-A | IRAK degrading agents and uses thereof | 凯麦拉医疗公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-112105385-A | IRAK degrading agents and uses thereof | 凯麦拉医疗公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-106458912-B | Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics | 辉瑞公司 | 2020-10-27 | — | — | CN | disclosed |