Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397412 | 0.77 | CYP1A2 (0.34) | CYP2A6L3MBTL1 | |
| SCHEMBL16223776 | 0.77 | ALDH1A1 (0.36) | TSHRSMN1; SMN2KDM4EALDH1A1HTT | |
| SCHEMBL4402445 | 0.77 | CYP2A6 (0.34) | CYP2A6SMN1; SMN2HTT | |
| SCHEMBL2889003 | 0.77 | CYP1A2 (0.50) | CYP2A6CCR1CCR5CCR8NOS1 | |
| SCHEMBL4397001 | 0.75 | NOS1 (0.32) | NOS1TSHRLMNACYP2C9APEX1 | |
| SCHEMBL3824244 | 0.74 | KDM4E (0.47) | CYP2A6SMN1; SMN2KDM4EALDH1A1NPSR1 | |
| SCHEMBL10321126 | 0.73 | CYP1A2 (0.41) | CYP2A6CYP2C9PDK2ALDH1A1HPGD | |
| SCHEMBL4399735 | 0.72 | PDGFRB (0.56) | CYP2A6LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL2288767 | 0.71 | NR4A2 (0.46) | CYP2A6CCR1CCR5CCR8NR4A2 | |
| SCHEMBL7875010 | 0.71 | NOS1 (0.33) | CYP2A6NOS1TSHRLMNACYP2C9 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230052586-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-02-16 | — | — | US | claimed |
| EP-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | claimed |
| WO-2021249969-A1 | COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES | MERCK PATENT GMBH (DE) | 2021-12-16 | — | — | WO | claimed |
| EP-3898588-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | Merck Patent GmbH (DE) | 2021-10-27 | — | — | EP | claimed |
| WO-2020127960-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | claimed |
| EP-1817309-B1 | ACETAMIDE COMPOUNDS AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-12-23 | — | — | EP | claimed |
| US-20230052586-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-02-16 | — | — | US | disclosed |
| EP-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | disclosed |
| WO-2021249969-A1 | COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES | MERCK PATENT GMBH (DE) | 2021-12-16 | — | — | WO | disclosed |
| EP-3898588-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | Merck Patent GmbH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020127960-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | disclosed |
| US-9242943-B2 | 1,4 oxazines as BACE1 and/or BACE2 inhibitors | SIENA BIOTECH S.P.A. (IT) | 2016-01-26 | — | — | US | disclosed |
| EP-2665713-A1 | 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098064-A1 | 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |
| US-20120184540-A1 | 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-19 | — | — | 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-20120184540-A1 | 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | BACE2, BACE1, PSEN1 | CYP2A6 868/4885CCR1 3959/4885CCR5 2779/4885 |
| US-20230052586-A1 | DISUBSTITUTED ALKYNE DERIVATIVES | BRCA1, MYC, PCNA | CYP2A6 2603/4885CCR1 1901/4885CCR5 1645/4885 |
“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.