Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | IDH2 | P48735 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909370 | 1.00 | CA12 (0.34) | CA12CA14TSHRIDH1IDH2 | |
| SCHEMBL6139102 | 0.89 | CA14 (0.39) | CA12CA14TSHR | |
| SCHEMBL6294190 | 0.85 | TSHR (0.47) | CA12CA14TSHR | |
| SCHEMBL7272503 | 0.85 | TSHR (0.47) | CA12CA14TSHR | |
| SCHEMBL8910731 | 0.83 | CA12 (0.38) | CA12CA14TSHR | |
| SCHEMBL8908784 | 0.81 | THRB (0.38) | CA12CA14TSHR | |
| SCHEMBL8908787 | 0.81 | THRB (0.38) | CA12CA14TSHR | |
| SCHEMBL4971964 | 0.80 | ASGR1 (0.30) | — | |
| SCHEMBL4971967 | 0.80 | ASGR1 (0.30) | — | |
| SCHEMBL1058050 | 0.75 | HSD11B1 (0.43) | IDH1IDH2 |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |