Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 3/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.36 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20652948 | 0.93 | ADORA3 (0.41) | ADORA3P2RX3BRAFPIK3CGRAB9A | |
| SCHEMBL20653072 | 0.92 | ADORA3 (0.42) | ADORA3P2RX3BRAFPIK3CGRAB9A | |
| SCHEMBL24095997 | 0.91 | ADORA3 (0.42) | ADORA3PDE5AMAPT | |
| SCHEMBL20652815 | 0.89 | ADORA3 (0.43) | ADORA3P2RX3BRAFPIK3CGRAB9A | |
| SCHEMBL20652961 | 0.88 | ADORA3 (0.42) | ADORA3P2RX3BRAFPIK3CGRAB9A | |
| SCHEMBL20652947 | 0.88 | ADORA3 (0.43) | ADORA3P2RX3BRAFPIK3CGRAB9A | |
| SCHEMBL20652805 | 0.87 | P2RX3 (0.39) | ADORA3P2RX3ALDH1A1MAPK1KCNH2 | |
| SCHEMBL20652803 | 0.86 | P2RX3 (0.41) | ADORA3P2RX3USP1KCNH2TRPC4 | |
| SCHEMBL20656216 | 0.86 | P2RX3 (0.40) | P2RX3PDE5AALDH1A1TP53TSHR | |
| SCHEMBL20652804 | 0.86 | P2RX3 (0.46) | P2RX3ALDH1A1KDM4ETP53KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |
| US-10329292-B2 | Substituted xanthine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-06-25 | — | — | US | disclosed |
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |
| US-20190016722-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | 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 (2 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-10329292-B2 | Substituted xanthine derivatives | TRPC5, TRPV1, TRPC4 | ADORA3 352/4885P2RX3 21/4885BRAF 1913/4885 |
| US-20190016722-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | TRPC5, TRPC4, TRPV1 | ADORA3 366/4885P2RX3 19/4885BRAF 2217/4885 |
“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.