Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8908787 | 1.00 | THRB (0.38) | THRBTSHRCA12CA14MT-CO2 | |
| SCHEMBL6139102 | 0.89 | CA14 (0.39) | THRBTSHRCA12CA14NFKB1 | |
| SCHEMBL9800648 | 0.87 | MT-CO2 (0.32) | MT-CO2NFKB1NFKB2RELADDB1 | |
| SCHEMBL9800650 | 0.87 | MT-CO2 (0.32) | MT-CO2NFKB1NFKB2RELADDB1 | |
| SCHEMBL6294190 | 0.85 | TSHR (0.47) | THRBTSHRCA12CA14 | |
| SCHEMBL7272503 | 0.85 | TSHR (0.47) | THRBTSHRCA12CA14 | |
| SCHEMBL8910731 | 0.83 | CA12 (0.38) | TSHRCA12CA14 | |
| SCHEMBL8909370 | 0.81 | CA12 (0.34) | TSHRCA12CA14 | |
| SCHEMBL8909366 | 0.81 | CA12 (0.34) | TSHRCA12CA14 | |
| SCHEMBL24969074 | 0.75 | NFKB1 (0.41) | MT-CO2NFKB1NFKB2RELADDB1 |
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 |