Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL161118 | 0.98 | CYP1A2 (0.44) | CYP1A2CHRM5ADRA2CHRH3NPC1 | |
| SCHEMBL2439043 | 0.80 | CHRM5 (0.50) | CYP1A2CHRM5ADRA2CHRH3TP53 | |
| SCHEMBL1489984 | 0.78 | CHRM5 (0.46) | CYP1A2CHRM5ADRA2C | |
| SCHEMBL947318 | 0.75 | CXCR4 (0.40) | CYP1A2HRH3 | |
| SCHEMBL2439970 | 0.74 | CHRM5 (0.46) | CYP1A2CHRM5ADRA2CHRH3 | |
| SCHEMBL947501 | 0.73 | CXCR4 (0.38) | CYP1A2HRH3RAD52HRH4 | |
| SCHEMBL39245 | 0.71 | CHRM5 (0.43) | CHRM5ADRA2C | |
| SCHEMBL4857180 | 0.71 | NOS1 (0.48) | CYP1A2ADRA2C | |
| SCHEMBL713122 | 0.71 | CHRM5 (0.43) | CHRM5ADRA2C | |
| SCHEMBL947556 | 0.70 | CXCR4 (0.39) | CYP1A2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |
| US-5925642-A | ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-07-20 | — | — | US | disclosed |