Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | USP19 | O94966 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL18468618 | 0.84 | CYP3A4 (0.37) | PTPN5CYP2C19CYP3A4CYP2C9HSD11B1 | |
| SCHEMBL18656031 | 0.82 | PTPN5 (0.41) | PTPN5CYP2C19CYP3A4CYP2C9HSD11B1 | |
| SCHEMBL23617959 | 0.81 | CYP2C19 (0.45) | CYP2C19CYP3A4CYP2C9HSD11B1USP19 | |
| SCHEMBL18631035 | 0.76 | KMO (0.47) | CYP2C19CYP3A4CYP2C9HSD11B1RXRA | |
| SCHEMBL18650826 | 0.75 | RXRA (0.47) | PTPN5CYP3A4HSD11B1RXRARXRB | |
| SCHEMBL18650811 | 0.74 | PTGS2 (0.57) | PTPN5CYP2C19CYP3A4CYP2C9HSD11B1 | |
| SCHEMBL21146530 | 0.71 | HDAC4 (0.39) | CYP2C19CYP3A4CYP2C9HSD11B1OPRK1 | |
| SCHEMBL5352034 | 0.70 | RXRA (0.62) | PTPN5CYP3A4RXRARXRBRXRG | |
| SCHEMBL13975261 | 0.70 | DRD2 (0.39) | CYP2C19CYP3A4CYP2C9HSD11B1KDM4E | |
| SCHEMBL598181 | 0.68 | RXRA (0.66) | PTPN5CYP3A4CYP2C9RXRARXRB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10392375-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-08-27 | — | — | US | disclosed |
| US-9969710-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2018-05-15 | — | — | US | disclosed |
| 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 |
| US-20170081307-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |
| US-20170081317-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |
| US-20170081317-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 (3 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-20170081317-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | PTPN5 133/4885CYP2C19 3828/4885CYP3A4 3216/4885 |
| US-10392375-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | IRAK2, IRAK3, IRAK1 | PTPN5 133/4885CYP2C19 3828/4885CYP3A4 3216/4885 |
| US-20170081307-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | PTPN5 133/4885CYP2C19 3828/4885CYP3A4 3216/4885 |
“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.