Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL9727567 | 0.94 | CYP3A4 (0.37) | SIRT2CYP3A4PTGER1PTGER4PTGER3 | |
| SCHEMBL9727743 | 0.91 | HTR6 (0.40) | CCR5SIRT2DRD4CYP1A2CYP3A4 | |
| SCHEMBL14435033 | 0.84 | HTR6 (0.43) | CYP3A4PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL14446492 | 0.83 | CYP3A4 (0.37) | CYP3A4 | |
| SCHEMBL5502488 | 0.83 | MAOA (0.40) | CYP3A4 | |
| SCHEMBL9727458 | 0.78 | PTGER1 (0.47) | PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL9727339 | 0.78 | MAOB (0.43) | — | |
| SCHEMBL9727691 | 0.75 | MTNR1B (0.42) | SMN1; SMN2 | |
| SCHEMBL9727677 | 0.75 | PTGDR2 (0.38) | — | |
| SCHEMBL14446494 | 0.74 | HTR6 (0.38) | 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 |