Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL734737 | 0.85 | CYP3A4 (0.40) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL31527201 | 0.84 | LTA4H (0.41) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL29451473 | 0.84 | CYP3A4 (0.39) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL17841358 | 0.82 | TDP1 (0.44) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL31527616 | 0.81 | POLB (0.38) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL734976 | 0.79 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL31526993 | 0.79 | KLK5 (0.46) | — | |
| SCHEMBL28950605 | 0.79 | HDAC2 (0.40) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL31527473 | 0.78 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 | |
| SCHEMBL19978990 | 0.78 | CYP3A4 (0.39) | CYP3A4HTTSMN1; SMN2KMT2ASMYD2 |
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 | CYP3A4 735/4885HTT 4172/4885SMN1; SMN2 4455/4885 |
“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.