Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL13145001 | 0.86 | CYP2C19 (0.35) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL13121724 | 0.86 | CYP2C19 (0.35) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL9432831 | 0.80 | MAPT (0.47) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL418070 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL13198671 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL418068 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL9308973 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL8246813 | 0.80 | GAA (0.41) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL8636295 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP1A2TSHRCYP2D6MAPK1 | |
| SCHEMBL4260159 | 0.77 | MAPT (0.38) | CHRM2CHRM4CHRM3SLC6A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5739396-A | CHIRAL COMPOUND COMPRISING CHIRAL BACKBONE TO WHICH IS BOUND TWO OR THREE METAL BINDING MOIETIES | STANFORD UNIVERSITY (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1993012260-A2 | ASYMMETRIC LIGANDS USEFUL FOR TRANSITION METAL CATALYZED BOND FORMING REACTIONS | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) | 1993-06-24 | — | — | WO | disclosed |