Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9727686 | 0.82 | NR3C1 (0.38) | NR3C1L3MBTL1ALDH1A1MAPTTDP1 | |
| SCHEMBL9727307 | 0.82 | L3MBTL1 (0.36) | NR3C1L3MBTL1ALDH1A1MAPTTDP1 | |
| SCHEMBL9727633 | 0.82 | LTA4H (0.38) | NR3C1ALDH1A1AKR1B1ABCB1HTR1A | |
| SCHEMBL9727700 | 0.82 | MTNR1A (0.35) | L3MBTL1MAPTTDP1AKR1B1ABCB1 | |
| SCHEMBL9727653 | 0.81 | ABCB1 (0.38) | MAOBABCB1HTR1ADRD2 | |
| SCHEMBL9727725 | 0.77 | AKR1B1 (0.32) | NR3C1L3MBTL1ALDH1A1MAPTTDP1 | |
| SCHEMBL9727746 | 0.76 | GABRA1 (0.36) | ALDH1A1PTPN1POLBCYP3A4 | |
| SCHEMBL14552348 | 0.73 | MAOB (0.54) | L3MBTL1ALDH1A1MAPTTDP1GAA | |
| SCHEMBL9727705 | 0.70 | ABCB1 (0.41) | ALDH1A1MEN1KMT2ACYP3A4SIRT2 | |
| SCHEMBL4231254 | 0.68 | MAOB (0.51) | ALDH1A1MAPTTDP1MAOBKDM4E |
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 |