Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6879325 | 0.95 | GAA (0.53) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| SCHEMBL6876792 | 0.95 | GAA (0.49) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| SCHEMBL6876786 | 0.84 | GAA (0.58) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| Theobromine SCHEMBL13384567 | 0.70 | CYP3A4 (0.81) | ALDH1A1TSHRMAPK1CYP3A4PMP22 | |
| Theobromine SCHEMBL6879114 | 0.70 | MAPK1 (0.61) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| Theobromine SCHEMBL1495257 | 0.70 | MAPK1 (0.71) | ALDH1A1TSHRMAPK1CYP3A4PMP22 | |
| SCHEMBL10309075 | 0.68 | GAA (0.57) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| SCHEMBL6187607 | 0.68 | MAPK1 (0.64) | GAAL3MBTL1ALDH1A1NPSR1HSD17B10 | |
| SCHEMBL15840964 | 0.68 | GAA (0.57) | GAAL3MBTL1ALDH1A1NPSR1TSHR | |
| SCHEMBL9390364 | 0.67 | HPGD (0.51) | GAAL3MBTL1ALDH1A1NPSR1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | GAA 1144/4885L3MBTL1 2800/4885ALDH1A1 699/4885 |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GAA 1144/4885L3MBTL1 2800/4885ALDH1A1 699/4885 |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GAA 1144/4885L3MBTL1 2800/4885ALDH1A1 699/4885 |
| US-20110059995-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | GAA 1144/4885L3MBTL1 2800/4885ALDH1A1 699/4885 |
“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.