Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6945854 | 0.89 | ADAM17 (0.37) | ADAM17 | |
| SCHEMBL7076167 | 0.88 | ADAM17 (0.39) | MMP2ADAM17 | |
| SCHEMBL6942497 | 0.85 | RAB9A (0.34) | TAS1R3TAS1R1 | |
| SCHEMBL6939946 | 0.83 | NPC1 (0.36) | — | |
| SCHEMBL6941585 | 0.82 | ALDH1A1 (0.38) | TAS1R3TAS1R1 | |
| SCHEMBL6944196 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL6944737 | 0.82 | MMP9 (0.36) | TAS1R3TAS1R1 | |
| SCHEMBL6943877 | 0.81 | — | — | |
| SCHEMBL6940117 | 0.81 | GRIK1 (0.35) | — | |
| SCHEMBL6943008 | 0.80 | NAMPT (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6235787-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. | 2001-05-22 | — | — | US | disclosed |
| EP-0993442-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001428-A1 | HYDRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-14 | — | — | WO | disclosed |