Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL843452 | 1.00 | AOC3 (0.55) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A | |
| SCHEMBL5037396 | 0.84 | ALDH1A1 (0.57) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A | |
| SCHEMBL10391003 | 0.81 | ALDH1A1 (0.58) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A | |
| SCHEMBL3976944 | 0.80 | NR1H4 (0.61) | ALDH1A1NPSR1L3MBTL1RAB9APOLB | |
| SCHEMBL11509658 | 0.79 | NOS3 (0.47) | AOC3ALDH1A1NPSR1KMT2ANOS3 | |
| SCHEMBL876253 | 0.78 | NR3C1 (0.47) | ALDH1A1POLB | |
| SCHEMBL843461 | 0.78 | NR3C1 (0.47) | ALDH1A1POLB | |
| SCHEMBL2545099 | 0.78 | ALDH1A1 (0.61) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A | |
| SCHEMBL17653723 | 0.77 | SLC7A5 (0.55) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A | |
| SCHEMBL30489996 | 0.77 | SLC7A5 (0.55) | AOC3ALDH1A1NPSR1L3MBTL1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8143264-B2 | Xanthine derivatives as selective HM74A agonists | GLAXOSMITHKLINE LLC (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110257205-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | GLAXOSMITHKLINE LLC | 2011-10-20 | — | — | US | disclosed |
| US-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION | 2010-07-15 | — | — | US | disclosed |
| US-20100168122-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2010-07-01 | — | — | 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 (3 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-20100168122-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | GPR84, XDH, GPR88 | AOC3 859/4885ALDH1A1 514/4885NPSR1 233/4885 |
| US-20110257205-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | GPR84, GPR88, XDH | AOC3 1151/4885ALDH1A1 856/4885NPSR1 330/4885 |
| US-20100179128-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | XDH, GPR84, GPR88 | AOC3 898/4885ALDH1A1 600/4885NPSR1 254/4885 |
“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.