Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 9/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 9/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505040 | 0.75 | AKR1B1 (0.37) | CYP3A4AKR1B1 | |
| SCHEMBL8664268 | 0.74 | MAOA (0.41) | CYP3A4AKR1B1 | |
| SCHEMBL5502112 | 0.68 | DRD2 (0.45) | DRD1CYP3A4 | |
| SCHEMBL14435037 | 0.66 | CYP3A4 (0.49) | CYP3A4 | |
| SCHEMBL5501181 | 0.66 | HRH3 (0.43) | CYP3A4 | |
| SCHEMBL11129203 | 0.64 | SRD5A1 (0.35) | CYP3A4 | |
| SCHEMBL370147 | 0.64 | SRD5A1 (0.41) | CYP3A4AKR1B1 | |
| SCHEMBL8352429 | 0.64 | CYP3A4 (0.60) | CYP3A4 | |
| SCHEMBL9727669 | 0.63 | MTNR1A (0.43) | MTNR1AMTNR1B | |
| SCHEMBL7626493 | 0.62 | MTNR1A (0.49) | MTNR1AMTNR1B |
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 |