Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CETP | P11597 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733805 | 0.92 | ALDH1A1 (0.71) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL2892697 | 0.87 | KDM4E (0.55) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL28170369 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL16404476 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL21724826 | 0.83 | SIRT2 (0.63) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL3559385 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL16211054 | 0.82 | KDM4E (0.56) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL15101859 | 0.80 | KMT2A (0.51) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL15101849 | 0.80 | KMT2A (0.51) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL28728842 | 0.80 | ALDH1A1 (0.68) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838529-B2 | Xanthine derivates, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-23 | — | — | US | claimed |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-05-21 | — | — | US | claimed |
| US-7495005-B2 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-02-24 | — | — | US | claimed |
| US-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-08-26 | — | — | US | claimed |
| US-7838529-B2 | Xanthine derivates, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-23 | — | — | US | disclosed |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-05-21 | — | — | US | disclosed |
| US-7495005-B2 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-02-24 | — | — | US | disclosed |
| US-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-08-26 | — | — | 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-20040166125-A1 | Xanthine derivatives, their preparation and their use in pharmaceutical compositions | XDH, CALCRL, CALCA | ALDH1A1 160/4885KDM4E 2704/4885NPSR1 376/4885 |
| US-20090131432-A1 | XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | XDH, CALCRL, GPR119 | ALDH1A1 274/4885KDM4E 2533/4885NPSR1 200/4885 |
“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.