Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL20104833 | 1.00 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL20198685 | 1.00 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL11302239 | 1.00 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL1187720 | 0.97 | — | — | |
| SCHEMBL1185653 | 0.92 | — | — | |
| SCHEMBL1186087 | 0.85 | — | — | |
| SCHEMBL20104708 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3366924 | 0.82 | — | — | |
| SCHEMBL28205254 | 0.82 | CYP4F2 (0.40) | TSHRCYP2C19 | |
| SCHEMBL731089 | 0.82 | TSHR (0.33) | TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |