Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL3780438 | 0.80 | CYP2D6 (0.35) | CYP2D6NR1D1CA2CA1 | |
| SCHEMBL15952123 | 0.78 | CYP2D6 (0.42) | ZDHHC7CA12CA14CYP2D6DGAT1 | |
| SCHEMBL15952124 | 0.78 | CYP2D6 (0.42) | ZDHHC7CA12CA14CYP2D6DGAT1 | |
| SCHEMBL9338982 | 0.75 | CYP2D6 (0.37) | CYP2D6NR1D1CA2CA1 | |
| SCHEMBL14729341 | 0.75 | CA12 (0.41) | CA12CA14CYP2D6DGAT1NR1D1 | |
| SCHEMBL13965219 | 0.75 | CA12 (0.41) | CA12CA14CYP2D6DGAT1NR1D1 | |
| SCHEMBL17754726 | 0.75 | ZDHHC7 (0.47) | ZDHHC7CA12CA14CYP2D6DGAT1 | |
| SCHEMBL22737498 | 0.74 | CYP2D6 (0.35) | CA12CA14CYP2D6DGAT1NR1D1 | |
| SCHEMBL3780442 | 0.74 | TDP1 (0.32) | CYP2D6NR1D1 | |
| SCHEMBL27420033 | 0.74 | NR1D1 (0.38) | CA12CA14CYP2D6DGAT1NR1D1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010011367-A2 | BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING | ILLINOIS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | WO | disclosed |