Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9682169 | 1.00 | TSHR (0.33) | TSHRMEN1CYP3A4KMT2A | |
| SCHEMBL8960658 | 0.86 | MEN1 (0.41) | TSHRMEN1CYP3A4KMT2A | |
| SCHEMBL8960661 | 0.86 | MEN1 (0.41) | TSHRMEN1CYP3A4KMT2A | |
| SCHEMBL12987201 | 0.79 | GABBR2 (0.31) | TSHR | |
| SCHEMBL2122168 | 0.79 | — | — | |
| SCHEMBL12987198 | 0.79 | GABBR2 (0.31) | TSHR | |
| SCHEMBL2122173 | 0.79 | — | — | |
| SCHEMBL5519217 | 0.75 | TSHR (0.35) | TSHR | |
| SCHEMBL73009 | 0.73 | — | — | |
| SCHEMBL73011 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5173209-A | Concentrated solvent reagent; high solubility; chemical intermediates for steroids and fragrance | CYPRUS FOOTE MINERAL COMPANY (US) | 1992-12-22 | — | — | US | disclosed |
| US-5068368-A | Reaction of lithium amide with acetylene and reaction with a ketone | CYPRUS FOOTE MINERAL COMPANY (US) | 1991-11-26 | — | — | US | disclosed |
| US-4320236-A | Ethynylation | HOFFMANN-LA ROCHE INC. (US) | 1982-03-16 | — | — | US | disclosed |