Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127061 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL7698668 | 0.76 | DRD1 (0.32) | — | |
| SCHEMBL7124429 | 0.76 | DRD1 (0.32) | — | |
| SCHEMBL7126456 | 0.76 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7121195 | 0.76 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8656877 | 0.73 | MAOB (0.46) | ALDH1A1TSHRMAPTMAPK1 | |
| SCHEMBL8657795 | 0.72 | MAOB (0.41) | ALDH1A1TSHRCYP2C19MAPTMAPK1 | |
| SCHEMBL8657794 | 0.72 | MAOB (0.41) | ALDH1A1TSHRCYP2C19MAPTMAPK1 | |
| SCHEMBL7508213 | 0.71 | MTNR1A (0.42) | — | |
| SCHEMBL7121703 | 0.71 | MTNR1A (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6350775-B1 | AGAINST GRAMPOSITIVE BACTERIA | ZENECA LIMITED (GB) | 2002-02-26 | — | — | US | disclosed |