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 | |
|---|---|---|---|---|
| SCHEMBL27311 | 1.00 | — | — | |
| SCHEMBL1325359 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL20291779 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL8854242 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| Cyclohexane SCHEMBL732752 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL6901372 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL8672905 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL261336 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL1357086 | 1.00 | TSHR (0.38) | TSHRCYP2C19 | |
| SCHEMBL643264 | 1.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |