Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.33 |
| ▸ | MASP2 | O00187 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL6222456 | 0.81 | ADAM17 (0.40) | ADAM17HTR2ACTSCGAAGRIK1 | |
| SCHEMBL6222466 | 0.81 | ADAM17 (0.40) | ADAM17HTR2ACTSCGAAGRIK1 | |
| SCHEMBL6222461 | 0.81 | ADAM17 (0.40) | ADAM17HTR2ACTSCGAAGRIK1 | |
| SCHEMBL6945084 | 0.81 | ADAM17 (0.42) | ADAM17HTR2ACTSCGRIK1GRIK2 | |
| SCHEMBL7955135 | 0.70 | ADAM17 (0.55) | ADAM17MMP1MMP2MMP9 | |
| SCHEMBL7955133 | 0.70 | ADAM17 (0.55) | ADAM17MMP1MMP2MMP9 | |
| SCHEMBL1844385 | 0.70 | ADAM17 (0.55) | ADAM17MMP1MMP2MMP9 | |
| SCHEMBL13274078 | 0.70 | ADAM17 (0.55) | ADAM17MMP1MMP2MMP9 | |
| SCHEMBL1844380 | 0.70 | ADAM17 (0.55) | ADAM17MMP1MMP2MMP9 | |
| SCHEMBL6942351 | 0.67 | HTR2A (0.36) | ADAM17HTR2AGRIK1GRIK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137640-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000035885-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |