Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
| ▸ | GPR183 | P32249 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10176301 | 0.80 | CA2 (0.44) | PTPN5ALDH1A1RXFP1HTR2ATSPO | |
| SCHEMBL10179646 | 0.76 | HDAC4 (0.51) | ALDH1A1RXFP1HTR2ATSPOGPR183 | |
| SCHEMBL22844053 | 0.76 | CNR1 (0.43) | — | |
| SCHEMBL25643650 | 0.73 | SMN1; SMN2 (0.42) | ALDH1A1RXFP1HTR2ATSPOGPR183 | |
| SCHEMBL10182144 | 0.73 | HTR2A (0.41) | ALDH1A1RXFP1HTR2ATSPOGPR183 | |
| SCHEMBL12860655 | 0.72 | ALDH1A1 (0.48) | ALDH1A1RXFP1NR1H2CA2LMNA | |
| SCHEMBL841819 | 0.71 | ALDH1A1 (0.46) | ALDH1A1RXFP1HTR2ATSPOGPR183 | |
| SCHEMBL84445 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KCNQ3KCNQ2NR1H2CA2 | |
| SCHEMBL10179562 | 0.69 | KAT6A (0.38) | PTPN5ALDH1A1CA2KAT6APGR | |
| SCHEMBL24247196 | 0.68 | SLC9A1 (0.38) | ALDH1A1NR1H2CA2NR1H3CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9969710-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2018-05-15 | — | — | US | disclosed |
| US-20170081307-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | 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 (1 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-20170081307-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | PTPN5 133/4885ALDH1A1 2580/4885KCNQ3 4554/4885 |
“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.