Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.48 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20652759 | 0.87 | MEN1 (0.57) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22109905 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652980 | 0.83 | KDM4E (0.53) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22105713 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20653046 | 0.79 | KDM4E (0.49) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652970 | 0.78 | ATM (0.62) | ALDH1A1MAPTHPGDGAANOD2 | |
| SCHEMBL20652781 | 0.77 | ALDH1A1 (0.54) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652967 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20653060 | 0.74 | ALDH1A1 (0.40) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL555928 | 0.72 | BRD4 (0.62) | KDM4EHPGDCXCL8NOD2NOD1 |
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 | ALDH1A1 1347/4885MAPT 1268/4885PKM 1869/4885 |
| US-20190016722-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | TRPC5, TRPC4, TRPV1 | ALDH1A1 1488/4885MAPT 1549/4885PKM 2064/4885 |
“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.