Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20652982 | 0.82 | KMT2A (0.36) | ADORA1KMT2AKDM4EALDH1A1GLA | |
| SCHEMBL20655914 | 0.82 | KDM4E (0.47) | ADORA1KMT2AKDM4EALDH1A1GLA | |
| SCHEMBL20652782 | 0.82 | ADORA2A (0.34) | ADORA1KMT2AKDM4EALDH1A1GLA | |
| SCHEMBL20652749 | 0.78 | KDM4E (0.41) | ADORA1KMT2AKDM4EALDH1A1GLA | |
| SCHEMBL22105441 | 0.78 | ALDH1A1 (0.36) | KMT2AKDM4EALDH1A1GLACASP1 | |
| SCHEMBL20652780 | 0.74 | KMT2A (0.37) | KMT2AKDM4EALDH1A1GLACASP1 | |
| SCHEMBL22109857 | 0.72 | MTOR (0.34) | KMT2AKDM4EALDH1A1GLACASP1 | |
| SCHEMBL2333182 | 0.68 | ADORA2B (0.61) | ADORA1ADORA2AADORA2B | |
| SCHEMBL2243952 | 0.67 | DAO (0.58) | ALDH1A1MTORPDE5A | |
| SCHEMBL29910188 | 0.67 | ADORA1 (0.60) | ADORA1KMT2AKDM4EALDH1A1HSD17B10 |
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 | ADORA1 439/4885KMT2A 4180/4885KDM4E 3884/4885 |
| US-20190016722-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | TRPC5, TRPC4, TRPV1 | ADORA1 436/4885KMT2A 4155/4885KDM4E 3789/4885 |
“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.