Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 2/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14784899 | 0.90 | IDO1 (0.44) | ATMNPSR1IDO1PTGER1CYP1A2 | |
| SCHEMBL14785063 | 0.81 | PTGER1 (0.39) | IDO1PTGER1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14774605 | 0.81 | PTGER1 (0.46) | NR3C1NR3C2PTGER1CYP1A2CYP3A4 | |
| SCHEMBL189219 | 0.77 | HTR2A (0.39) | NR3C1NR3C2ATMPLA2G1BNPSR1 | |
| SCHEMBL11027381 | 0.75 | HTR2A (0.38) | NR3C1NR3C2ATMPLA2G1BNPSR1 | |
| SCHEMBL14774701 | 0.74 | SGMS2 (0.43) | PTGER1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4440290 | 0.73 | SLC6A4 (0.50) | NR3C1NR3C2HTR2ASLC6A4KCNH2 | |
| SCHEMBL189771 | 0.73 | TP53 (0.48) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14774804 | 0.72 | PTGER1 (0.57) | IDO1PTGER1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3307736 | 0.71 | IDO1 (0.40) | IDO1CYP1A2KDM4EHTR2ASLC6A4 |
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-2766344-A1 | EP1 RECEPTOR LIGANDS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2014-08-20 | — | — | EP | disclosed |
| WO-2013037960-A1 | EP1 RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-03-21 | — | — | WO | disclosed |