Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.77 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 7-Methylxanthine SCHEMBL28591758 | 0.87 | GDA (1.00) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| 7-Methylxanthine SCHEMBL31071477 | 0.87 | GDA (1.00) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| 7-Methylxanthine SCHEMBL235130 | 0.87 | GDA (1.00) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| 7-Methylxanthine SCHEMBL31071476 | 0.87 | GDA (1.00) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| 7-Methylxanthine SCHEMBL2466924 | 0.80 | GDA (0.77) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| Paraxanthine SCHEMBL28735832 | 0.76 | CYP3A4 (0.79) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| 7-Methylxanthine SCHEMBL15670710 | 0.75 | GDA (0.74) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| Theobromine SCHEMBL28735869 | 0.75 | CYP3A4 (0.77) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| Paraxanthine SCHEMBL13384585 | 0.73 | CYP3A4 (0.71) | GDAPMP22ALDH1A1CYP3A4MAPT | |
| Paraxanthine SCHEMBL13384565 | 0.73 | CYP3A4 (0.81) | GDAPMP22ALDH1A1CYP3A4MAPT |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114007622-A | Deuterated caffeine and application thereof | 伦纳姆制药股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| EP-3199203-B1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS INC (US) | 2020-02-05 | — | — | EP | disclosed |
| US-10335413-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2019-07-02 | — | — | US | disclosed |
| US-20180333417-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2018-11-22 | — | — | US | disclosed |
| US-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| EP-3199203-A1 | SUBSTITUED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2017-08-02 | — | — | EP | disclosed |
| EP-2265612-B1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS INC (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9493463-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-9492457-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-8987442-B2 | Deuterium-substituted xanthine derivatives and methods of use | CONCERT PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| US-8952016-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2015-02-10 | — | — | US | disclosed |
| US-20140121226-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2014-05-01 | — | — | US | disclosed |
| US-8263601-B2 | Deuterium substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2012-08-09 | — | — | US | disclosed |
| US-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-31 | — | — | US | disclosed |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS INC. | 2011-03-10 | — | — | US | disclosed |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-03 | — | — | US | disclosed |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-03 | — | — | US | disclosed |
| US-20090239886-A1 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | 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 (9 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-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20090239886-A1 | Substituted xanthine derivatives | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-10335413-B2 | Substituted xanthine derivatives | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20180333417-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GDA 334/4885PMP22 1869/4885ALDH1A1 699/4885 |
| US-20140121226-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, CXCR4, CXCR3 | GDA 917/4885PMP22 1752/4885ALDH1A1 927/4885 |
“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.