Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL11480389 | 0.90 | CYP2C9 (0.41) | HDAC3HDAC1HDAC2HDAC8NCOR2 | |
| SCHEMBL9000665 | 0.90 | CHRM2 (0.43) | CHRM2CHRM3ESR1ESR2GAA | |
| SCHEMBL11492645 | 0.86 | POLB (0.43) | HDAC3HDAC1HDAC2ESR1ESR2 | |
| SCHEMBL11479344 | 0.86 | ESR1 (0.37) | HDAC3HDAC1HDAC2ESR1ESR2 | |
| SCHEMBL11480873 | 0.86 | ESR1 (0.37) | HDAC3HDAC1HDAC2HDAC8NCOR2 | |
| SCHEMBL11493229 | 0.84 | CYP2A6 (0.39) | CHRM2CHRM3ESR1ESR2 | |
| SCHEMBL15875035 | 0.84 | CHRM2 (0.44) | CHRM2CHRM3GAA | |
| SCHEMBL9277669 | 0.84 | CHRM2 (0.44) | CHRM2CHRM3GAA | |
| SCHEMBL11480234 | 0.84 | LTA4H (0.49) | HDAC3CYP2C9CHRM2CHRM3POLB | |
| SCHEMBL11480902 | 0.83 | CYP2C9 (0.43) | CYP2C9HPGDSMN1; SMN2L3MBTL1KIF11 |
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-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |