Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.52 |
| ▸ | MC3R | P41968 | 1/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.52 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9257690 | 0.81 | ADORA2B (0.73) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL8569482 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL10478364 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL5671 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL901194 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| SCHEMBL9644518 | 0.67 | CYP3A4 (0.70) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL23004680 | 0.67 | ADORA2B (0.96) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL569367 | 0.67 | ADORA2B (0.96) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL10407512 | 0.67 | ADORA2B (0.96) | ADORA2BADORA2APOLBPIK3CDADORA3 | |
| Caffeine SCHEMBL20637756 | 0.67 | ADORA2B (0.96) | ADORA2BADORA2APOLBPIK3CDADORA3 |
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-7598019-B2 | Method for cleavage of labile functional groups from chemical compounds | UNIVERSITAT KONSTANZ (DE) | 2009-10-06 | — | — | US | disclosed |
| US-20050255403-A1 | Method for cleavage of labile functional groups from chemical compounds | UNIVERSITAT KONSTANZ (DE) | 2005-11-17 | — | — | US | disclosed |
| US-20050170281-A1 | Method of cleaving labile functional groups from chemical compounds | NIMBLEGEN SYSTEMS, INC. | 2005-08-04 | — | — | US | disclosed |
| EP-1519941-A2 | A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS | Chemogenix GmbH (DE) | 2005-04-06 | — | — | EP | disclosed |
| EP-1480927-A2 | A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS | Universität Konstanz (DE) | 2004-12-01 | — | — | EP | disclosed |
| WO-2004001033-A2 | A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS | CHEMOGENIX GMBH (DE) | 2003-12-31 | — | — | WO | disclosed |
| WO-2003074542-A2 | A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS | Universität Konstanz (DE) | 2003-09-12 | — | — | WO | disclosed |