Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 11/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL735198 | 0.85 | BCL2A1 (0.43) | BCL2A1ARADAMTS5HTR2CHTR2A | |
| SCHEMBL734818 | 0.81 | SIRT6 (0.54) | BCL2A1ARMEN1CYP1A2CYP3A4 | |
| SCHEMBL5633391 | 0.77 | HTR2C (0.48) | ARNOTUMADAMTS5HTR2CHTR2A | |
| SCHEMBL30609630 | 0.77 | HTR2C (0.48) | ARNOTUMADAMTS5HTR2CHTR2A | |
| SCHEMBL5632346 | 0.77 | HTR2C (0.48) | ARNOTUMADAMTS5HTR2CHTR2A | |
| SCHEMBL734584 | 0.77 | HTR2C (0.49) | BCL2A1ARHTR2CMEN1CYP1A2 | |
| SCHEMBL5632335 | 0.77 | HTR2C (0.48) | ARNOTUMADAMTS5HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL2270866 | 0.76 | HTR2C (0.47) | ARNOTUMADAMTS5HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL5631778 | 0.76 | HTR2C (0.47) | ARNOTUMADAMTS5HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL5633063 | 0.76 | HTR2C (0.47) | ARNOTUMADAMTS5HTR2CHTR2A |
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 | BCL2A1 2457/4885AR 811/4885NOTUM 4344/4885 |
“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.