Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1525703 | 0.82 | KCNA3 (0.47) | CNR1CNR2TP53KCNH2POLB | |
| SCHEMBL4782432 | 0.81 | KCNH2 (0.58) | CNR1CNR2TP53ALDH1A1CYP1A2 | |
| SCHEMBL4781502 | 0.79 | KCNH2 (0.44) | CYP3A4KCNH2HTR2ACCNE2CDK4 | |
| SCHEMBL707054 | 0.77 | ADRA1B (0.42) | KCNH2CCNE2CDK4PRKACAPRKACG | |
| SCHEMBL2797003 | 0.77 | KCNH2 (0.45) | CNR1CNR2ALDH1A1KCNH2CCNE2 | |
| Hydrochloric Acid SCHEMBL2799736 | 0.76 | KCNH2 (0.44) | CNR1CNR2ALDH1A1KCNH2CCNE2 | |
| SCHEMBL12002101 | 0.76 | KCNH2 (0.47) | ALDH1A1KCNH2CCNE2CDK4CCND1 | |
| SCHEMBL706526 | 0.74 | MTNR1A (0.58) | ALDH1A1CYP1A2KCNH2 | |
| SCHEMBL706949 | 0.74 | KCNH2 (0.56) | CYP3A4KCNH2 | |
| SCHEMBL4885587 | 0.74 | PLA2G10 (0.64) | CNR2TP53PLA2G10PLA2G2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2289890-A1 | Compounds for the treatment of multi-drug resistant bacterial infections | AstraZeneca AB (SE) | 2011-03-02 | — | — | EP | disclosed |