Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14435033 | 0.94 | HTR6 (0.43) | HTR6LTA4HEPHX2PTGER1PTGER4 | |
| SCHEMBL9727620 | 0.91 | CCR5 (0.38) | PTGER1PTGER4PTGER3PTGER2CCR5 | |
| SCHEMBL9727567 | 0.84 | CYP3A4 (0.37) | HTR6PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL14446494 | 0.83 | HTR6 (0.38) | HTR6CYP3A4 | |
| SCHEMBL14435032 | 0.83 | MTNR1A (0.38) | CYP3A4 | |
| SCHEMBL5502488 | 0.83 | MAOA (0.40) | HTR6CYP3A4 | |
| SCHEMBL9727764 | 0.81 | IGF1R (0.35) | — | |
| SCHEMBL9727728 | 0.80 | NR1I2 (0.32) | — | |
| SCHEMBL9727458 | 0.80 | PTGER1 (0.47) | PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL14435039 | 0.78 | AKR1B1 (0.40) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5091533-A | Treating allergies, cardiovascular disorders, inflammation | MERCK FROSST CANADA, INC. (CA) | 1992-02-25 | — | — | US | disclosed |
| EP-0447189-A1 | 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA INC. (CA) | 1991-09-18 | — | — | EP | disclosed |