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 | |
|---|---|---|---|---|
| SCHEMBL3714910 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4048738 | 0.97 | — | — | |
| SCHEMBL22117676 | 0.90 | — | — | |
| SCHEMBL14834615 | 0.83 | — | — | |
| SCHEMBL31113476 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL456109 | 0.80 | — | — | |
| SCHEMBL437421 | 0.73 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL5051935 | 0.73 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL4167437 | 0.73 | TSHR (0.33) | TSHRCYP2C19 | |
| SCHEMBL4168087 | 0.73 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |