Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349237 | 1.00 | SIGMAR1 (0.51) | SIGMAR1DRD3LTA4HPTGS1PTGS2 | |
| SCHEMBL4467619 | 0.84 | TDP1 (0.60) | SIGMAR1LTA4HPTGS1PTGS2TDP1 | |
| SCHEMBL17085459 | 0.83 | MEN1 (0.59) | SIGMAR1DRD3PTGS1ESR1ESR2 | |
| SCHEMBL10511597 | 0.83 | TDP1 (0.58) | SIGMAR1LTA4HPTGS1PTGS2TDP1 | |
| SCHEMBL19222342 | 0.81 | MEN1 (0.58) | SIGMAR1DRD3PTGS1ESR1ESR2 | |
| SCHEMBL11713554 | 0.81 | NR4A1 (0.46) | SIGMAR1DRD3LTA4HPTGS1PTGS2 | |
| SCHEMBL11719037 | 0.80 | NR4A1 (0.45) | SIGMAR1DRD3LTA4HPTGS1PTGS2 | |
| SCHEMBL4117433 | 0.78 | DRD3 (0.47) | SIGMAR1DRD3ESR1ESR2KMT2A | |
| SCHEMBL11721859 | 0.78 | SIGMAR1 (0.41) | SIGMAR1DRD3ESR1ESR2KMT2A | |
| SCHEMBL4352532 | 0.77 | LTA4H (0.52) | SIGMAR1DRD3LTA4HPTGS1PTGS2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7157455-B2 | 4-Aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-7157455-B2 | 4-Aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-20060229330-A1 | 4-aminopyrimidine-5-one derivatives | BARTKOVITZ DAVID J | 2006-10-12 | — | — | US | disclosed |
| EP-1507530-B1 | DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-11-02 | — | — | EP | disclosed |
| US-6818663-B2 | AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS | HOFFMANN-LA ROCHES | 2004-11-16 | — | — | US | disclosed |
| US-20040162303-A1 | 4-aminopyrimidine-5-one derivatives | BARTKOVITZ DAVID JOSEPH (US) | 2004-08-19 | — | — | US | disclosed |
| US-20040006058-A1 | DIAMINOTHIAZOLES | CHU XIN-JIE (US) | 2004-01-08 | — | — | 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-20040162303-A1 | 4-aminopyrimidine-5-one derivatives | CDK4, CDKL4, CDK6 | SIGMAR1 4788/4885DRD3 3450/4885LTA4H 1308/4885 |
| US-20040006058-A1 | DIAMINOTHIAZOLES | CDK4, CDK1, CDK2 | SIGMAR1 4105/4885DRD3 2110/4885LTA4H 2159/4885 |
| US-20060229330-A1 | 4-aminopyrimidine-5-one derivatives | CDK4, CDKL4, CDK2 | SIGMAR1 4776/4885DRD3 3577/4885LTA4H 3066/4885 |
“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.