Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 10/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.79 |
| ▸ | ACHE | P22303 | 1/20 | 0.68 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.54 |
| ▸ | PDE4A | P27815 | 5/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.54 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| 1-Methylxanthine SCHEMBL10996 | 0.89 | ADORA2B (1.00) | ADORA2BADORA2AACHEGDAADORA3 | |
| 1-Methylxanthine SCHEMBL28309011 | 0.88 | ADORA2B (0.96) | ADORA2BADORA2AACHEGDAADORA3 | |
| 1-Methylxanthine SCHEMBL27529726 | 0.88 | ADORA2B (0.96) | ADORA2BADORA2AACHEGDAADORA3 | |
| 1-Methylxanthine SCHEMBL9682658 | 0.88 | ADORA2B (0.96) | ADORA2BADORA2AACHEGDAADORA3 | |
| 3-Methylxanthine SCHEMBL1892894 | 0.84 | ADORA2B (0.77) | ADORA2BADORA2AACHEGDAADORA3 | |
| Xanthine SCHEMBL31152020 | 0.84 | GDA (0.96) | ADORA2BADORA2AACHEGDAADORA3 | |
| Xanthine SCHEMBL692609 | 0.83 | ADORA2B (0.54) | ADORA2BADORA2AACHEGDAADORA3 | |
| Xanthine SCHEMBL29669592 | 0.82 | GDA (1.00) | ADORA2BADORA2AACHEGDAADORA3 | |
| Xanthine SCHEMBL2352524 | 0.82 | GDA (1.00) | ADORA2BADORA2AACHEGDAADORA3 | |
| Xanthine SCHEMBL4965 | 0.82 | GDA (1.00) | ADORA2BADORA2AACHEGDAADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9637731-B2 | Heavy metal stabilization and methane inhibition during induced or naturally occurring reducing conditions in contaminated media | INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| US-20150183670-A1 | HEAVY METAL STABILIZATION AND METHANE INHIBITION DURING INDUCED OR NATURALLY OCCURRING REDUCING CONDITIONS IN CONTAMINATED MEDIA | INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. | 2015-07-02 | — | — | US | disclosed |