Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7617554 | 0.81 | CDK1 (0.37) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL12283253 | 0.81 | CDK1 (0.35) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL2414858 | 0.73 | ADORA2A (0.40) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL6368852 | 0.68 | CDK1 (0.44) | ADORA2AADORA1CYP3A4ALDH1A1MAPT | |
| SCHEMBL183091 | 0.68 | CDK1 (0.41) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL12311046 | 0.65 | ADORA2A (0.46) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL11556607 | 0.62 | CDK1 (0.54) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL1260282 | 0.62 | CDK1 (0.34) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL5355348 | 0.61 | ADORA2A (0.40) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL20203174 | 0.61 | ADORA2A (0.48) | GDAPIK3CDPOLBADORA3CNR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170362616-A1 | BIOSYNTHETIC PRODUCTION OF CAFFEINE | CODEXIS INC (US) | 2017-12-21 | — | — | US | disclosed |
| EP-3223621-A1 | BIOSYNTHETIC PRODUCTION OF CAFFEINE | Codexis, Inc. (US) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016085929-A1 | BIOSYNTHETIC PRODUCTION OF CAFFEINE | CODEXIS, INC. (US) | 2016-06-02 | — | — | WO | disclosed |
| EP-1140952-B1 | ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION | BIOAGENCY AG (DE) | 2003-09-03 | — | — | EP | disclosed |
| CN-1331695-A | Organic phosphorus compounds and their use | JOMAA PHARMACEUTICAL GMBH (DE) | 2002-01-16 | — | — | CN | disclosed |
| EP-1140952-A1 | ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION | Jomaa Pharmaka GmbH (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037477-A1 | ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION | JOMAA PHARMAKA GMBH (DE) | 2000-06-29 | — | — | WO | disclosed |