Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939934 | 0.93 | ADAM17 (0.36) | HDAC3EGFRGRIK1GRIK2CTSC | |
| SCHEMBL6940940 | 0.78 | ADAM17 (0.35) | GRIK1GRIK2CTSCPIN1ADAM17 | |
| SCHEMBL6939395 | 0.78 | PIN1 (0.32) | GRIK1GRIK2CTSCPIN1ADAM17 | |
| SCHEMBL6939584 | 0.73 | ADAM17 (0.36) | GRIK1GRIK2CTSCPIN1HTR2A | |
| SCHEMBL6943958 | 0.71 | ADAM17 (0.34) | CTSCADAM17 | |
| SCHEMBL6943008 | 0.70 | NAMPT (0.34) | HDAC3HDAC1HDAC2 | |
| SCHEMBL6940907 | 0.69 | ADAM17 (0.33) | CTSCADAM17HTT | |
| SCHEMBL6944737 | 0.69 | MMP9 (0.36) | HDAC3GRIK1GRIK2HDAC1HDAC2 | |
| SCHEMBL6945559 | 0.69 | PIN1 (0.37) | GRIK1GRIK2CTSCPIN1HTR2A | |
| SCHEMBL6942799 | 0.68 | ADAM17 (0.34) | CTSCADAM17HTT |
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 |