Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17893529 | 0.83 | NOTUM (0.54) | NOTUMDHFRMLYCDFFAR4CHRM4 | |
| SCHEMBL1735099 | 0.82 | ADRB1 (0.64) | NOTUMDHFRADRB1PIM1MLYCD | |
| SCHEMBL735432 | 0.81 | ALDH1A1 (0.67) | HTR3EHTR3BALDH1A1HTR1DHTR2C | |
| SCHEMBL20956923 | 0.78 | DRD2 (0.49) | NOTUMDHFRPIM1DRD2DRD3 | |
| SCHEMBL2439728 | 0.73 | NOTUM (0.50) | NOTUMDHFRMLYCDFFAR4DRD2 | |
| SCHEMBL2300499 | 0.73 | DHFR (0.55) | NOTUMDHFRPIM1MLYCDFFAR4 | |
| SCHEMBL28195870 | 0.73 | PRKDC (0.56) | NOTUMDHFRPIM1MLYCDFFAR4 | |
| SCHEMBL12968842 | 0.73 | ADRA2C (0.56) | NOTUMDHFRPIM1MLYCDALDH1A1 | |
| SCHEMBL8106701 | 0.72 | NOTUM (0.55) | NOTUMDHFRADRB1PIM1MLYCD | |
| SCHEMBL734450 | 0.72 | NOTUM (0.44) | NOTUMSLC5A1DRD2DRD3KCNH2 |
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 4344/4885DHFR 905/4885ADRB1 202/4885 |
“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.