Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | HTR1D | P28221 | 3/20 | 0.33 |
| ▸ | HTR1B | P28222 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155526 | 0.83 | KMT2A (0.34) | IRAK4CACNA1CSCN5AKCNH2HTR1D | |
| SCHEMBL16045376 | 0.82 | ITGB1 (0.53) | IRAK4ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL17966411 | 0.79 | ITGB1 (0.37) | IRAK4ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL31526486 | 0.78 | CYP1A2 (0.43) | IRAK4KMT2A | |
| SCHEMBL2366618 | 0.75 | — | — | |
| SCHEMBL2205953 | 0.75 | — | — | |
| SCHEMBL1775806 | 0.75 | — | — | |
| SCHEMBL962003 | 0.75 | — | — | |
| SCHEMBL1438805 | 0.75 | — | — | |
| Methane SCHEMBL9289781 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | XIAMEN UNIVERSITY (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | XIAMEN UNIVERSITY (CN) | 2017-11-23 | — | — | US | disclosed |
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | XIAMEN UNIVERSITY (CN) | 2017-11-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | FAAH, NAAA, FAAH2 | IRAK4 3929/4885ITGB3 4876/4885ITGB2 4885/4885 |
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | DHPS, CYP3A5, CYP3A4 | IRAK4 3687/4885ITGB3 4193/4885ITGB2 4605/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.