Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL6693217 | 0.90 | CTSK (0.34) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL8183510 | 0.89 | SMN1; SMN2 (0.32) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL31612 | 0.87 | GRIK1 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL5082914 | 0.87 | GRIK1 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL20241539 | 0.84 | CA12 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL9650643 | 0.82 | SMN1; SMN2 (0.41) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL27664481 | 0.82 | SMN1; SMN2 (0.31) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL14349106 | 0.77 | — | — | |
| SCHEMBL22205082 | 0.77 | TSHR (0.37) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL16574707 | 0.77 | TSHR (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 |
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-0863885-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997018207-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-05-22 | — | — | WO | disclosed |