Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.49 |
| ▸ | MC3R | P41968 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.49 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5430755 | 0.99 | ADORA2B (0.48) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL122391 | 0.99 | ADORA2B (0.48) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL122001 | 0.99 | ADORA2B (0.48) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL667174 | 0.81 | ADORA2B (0.62) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL2468803 | 0.79 | ADORA2B (0.59) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL1764613 | 0.78 | ADORA2B (0.61) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL3119654 | 0.77 | ADORA2B (0.60) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL7614321 | 0.74 | ADORA2B (0.53) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL684044 | 0.72 | ADORA2B (0.49) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL10638955 | 0.71 | ADORA2B (0.73) | ADORA2BACHEPIK3CDPOLBADORA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090304821-A1 | Pharmaceutical Combination | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| EP-1992348-A1 | PHARMACEUTICAL COMBINATION | Takeda Pharmaceutical Company Limited (JP) | 2008-11-19 | — | — | EP | disclosed |
| EP-0969843-B1 | ANTITUSSIVE COMPOSITIONS CONTAINING THEOBROMINE | KORBONITS DEZSO (HU) | 2002-06-12 | — | — | EP | disclosed |
| US-6348470-B1 | ALLEVIATE COUGH WITH THEOBROMINE | GAINE, INC. | 2002-02-19 | — | — | US | disclosed |
| EP-0969843-A2 | ANTITUSSIVE COMPOSITIONS CONTAINING THEOBROMINE | Korbonits, Dezso (HU) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042322-A2 | ANTITUSSIVE COMPOSITIONS | KORBONITS DEZSO (HU) | 1998-10-01 | — | — | 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-20090304821-A1 | Pharmaceutical Combination | CALCR, CALCRL, CASR | ADORA2B 235/4885ACHE 2987/4885PIK3CD 1993/4885 |
“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.