Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| Theobromine SCHEMBL27426907 | 0.84 | CYP3A4 (0.64) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL27461638 | 0.84 | CYP3A4 (0.64) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL4465592 | 0.81 | ADORA2B (0.68) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL11599459 | 0.81 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL1690622 | 0.81 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL3184 | 0.81 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL606388 | 0.80 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL7926330 | 0.80 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL1291169 | 0.80 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1LMNAALDH1A1 | |
| Theobromine SCHEMBL29658415 | 0.80 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1LMNAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130052280-A1 | USE OF THEBROMINE FOR LOWERING CENTRAL BLOOD PRESSURE | CONOPCO,INC., D/B/A UNILEVER | 2013-02-28 | — | — | US | disclosed |
| EP-2531195-A1 | USE OF THEOBROMINE FOR LOWERING CENTRAL BLOOD PRESSURE | Unilever NV (NL) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011095389-A1 | USE OF THEOBROMINE FOR LOWERING CENTRAL BLOOD PRESSURE | UNILEVER NV (NL) | 2011-08-11 | — | — | WO | 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-20130052280-A1 | USE OF THEBROMINE FOR LOWERING CENTRAL BLOOD PRESSURE | APOB, BHMT, HDLBP | CYP3A4 1262/4885PMP22 563/4885MAPK1 643/4885 |
“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.