Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL710699 | 0.81 | CA12 (0.35) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL710698 | 0.79 | TP53 (0.34) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL23631862 | 0.79 | ALDH1A1 (0.40) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| Ammonia Solution, Strong SCHEMBL11352450 | 0.77 | TP53 (0.33) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL6383892 | 0.72 | TP53 (0.31) | CA12CA1CA2CA7CA14 | |
| SCHEMBL10597067 | 0.69 | — | — | |
| SCHEMBL211159 | 0.67 | TP53 (0.41) | CA1CA2FDPS | |
| SCHEMBL3281118 | 0.66 | TSHR (0.40) | CYP3A4TSHRNFKB1NPSR1HDAC1 | |
| SCHEMBL2121872 | 0.66 | TSHR (0.56) | CYP3A4TSHRNFKB1NPSR1HDAC1 | |
| SCHEMBL22749155 | 0.65 | GPR84 (0.45) | FDPS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5062977-A | Sulphur-containing additives to lubricants with antiwear and extreme-pressure effect and the processes for their preparation and compositions containing the said additives | ELF FRANCE (FR) | 1991-11-05 | — | — | US | disclosed |