Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11921632 | 0.92 | TNF (0.52) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL8060268 | 0.85 | TNF (0.63) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL18460236 | 0.85 | TNF (0.52) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL6878419 | 0.81 | TNF (0.49) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL15471352 | 0.80 | TNF (0.48) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL19975705 | 0.79 | TNF (0.49) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL19975702 | 0.78 | TNF (0.46) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL8126411 | 0.78 | TNF (0.46) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| SCHEMBL19975701 | 0.78 | TNF (0.46) | TNFCYP1A2LMNAADORA2BNFKB1 | |
| 1-[4-Carboxypropyl]-3,7-Dimethylxanthine SCHEMBL5420399 | 0.77 | ADORA2B (0.74) | TNFCYP1A2LMNAADORA2BNFKB1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9492457-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-10-01 | — | — | US | disclosed |
| US-8987442-B2 | Deuterium-substituted xanthine derivatives and methods of use | CONCERT PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | 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-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 (5 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 | TNF 583/4885CYP1A2 509/4885LMNA 2823/4885 |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | TNF 583/4885CYP1A2 509/4885LMNA 2823/4885 |
| US-20120202830-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | TNF 583/4885CYP1A2 509/4885LMNA 2823/4885 |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | TNF 583/4885CYP1A2 509/4885LMNA 2823/4885 |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | TNF 583/4885CYP1A2 509/4885LMNA 2823/4885 |
“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.