Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | 0.91 | CTSK (0.34) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL20241539 | 0.84 | CA12 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL31612 | 0.84 | GRIK1 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL5082914 | 0.84 | GRIK1 (0.35) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL9650643 | 0.83 | SMN1; SMN2 (0.41) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL7601657 | 0.82 | SMN1; SMN2 (0.32) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL8183510 | 0.82 | SMN1; SMN2 (0.32) | SMN1; SMN2CTSKCYP3A4TSHRCYP2C19 | |
| SCHEMBL27937233 | 0.78 | DGAT1 (0.33) | CTSKNOS1NOS3NOS2 | |
| SCHEMBL27798380 | 0.78 | DGAT1 (0.33) | NOS1NOS3NOS2 | |
| SCHEMBL27824269 | 0.78 | DGAT1 (0.33) | NOS1NOS3NOS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1986520-A | Preparing process of optically active long chain N-Boc-amino acid with end olefinic bond | YAOMINGKANGDE NEW MEDICINE DEV (CN) | 2007-06-27 | — | — | CN | disclosed |