Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL6943971 | 0.94 | ADAM17 (0.32) | TGFBR1CA1CA2CA12CA9 | |
| SCHEMBL6947168 | 0.92 | MMP2 (0.31) | CA1CA2CA12CA9 | |
| SCHEMBL6945328 | 0.89 | ADAM17 (0.33) | CA1CA2 | |
| SCHEMBL6946835 | 0.89 | ADAM17 (0.32) | TGFBR1CA1CA2CA12CA9 | |
| SCHEMBL6947183 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL6943556 | 0.88 | ADAM17 (0.33) | TGFBR1P2RX3 | |
| SCHEMBL8111706 | 0.88 | ADAM17 (0.33) | TGFBR1P2RX3 | |
| SCHEMBL6942209 | 0.88 | ADAM17 (0.33) | TGFBR1P2RX3 | |
| SCHEMBL6942507 | 0.87 | FKBP1A (0.32) | TGFBR1P2RX3 | |
| SCHEMBL6945554 | 0.87 | ADAM17 (0.33) | TGFBR1P2RX3 |
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 |