Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CCKAR | P32238 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL734488 | 0.90 | NOTUM (0.44) | NOTUMACACBCHRM2CHRM1CHRM4 | |
| SCHEMBL734487 | 0.90 | NOTUM (0.44) | NOTUMACACBCHRM2CHRM1CHRM4 | |
| SCHEMBL734774 | 0.89 | HSD17B10 (0.50) | HSD17B10LMNASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL735360 | 0.85 | NOTUM (0.41) | NOTUMACACBCHRM2CHRM1CHRM4 | |
| SCHEMBL735359 | 0.85 | NOTUM (0.41) | NOTUMACACBCHRM2CHRM1CHRM4 | |
| SCHEMBL735443 | 0.84 | CHRM4 (0.46) | NOTUMCHRM2CHRM1CHRM4LMNA | |
| SCHEMBL735444 | 0.84 | CHRM4 (0.46) | NOTUMCHRM2CHRM1CHRM4LMNA | |
| SCHEMBL735291 | 0.83 | HSD17B10 (0.52) | HSD17B10LMNASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL736126 | 0.83 | CHRM4 (0.39) | NOTUMACACBCHRM2CHRM1CHRM4 | |
| SCHEMBL736124 | 0.83 | CHRM4 (0.39) | NOTUMACACBCHRM2CHRM1CHRM4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | NOTUM 4344/4885ACACB 4501/4885CHRM2 65/4885 |
“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.