Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4831479 | 1.00 | PTGDR2 (0.49) | PTGDR2KIF11BACE1MGLLTRPV6 | |
| SCHEMBL15010815 | 0.83 | KIF11 (0.52) | KIF11MGLLTRPV6 | |
| SCHEMBL24910022 | 0.79 | KIF11 (0.50) | KIF11BACE1MGLLTRPV6ALDH1A1 | |
| SCHEMBL30023096 | 0.77 | KIF11 (0.58) | PTGDR2KIF11BACE1CHRM1MET | |
| SCHEMBL27781322 | 0.77 | KIF11 (0.58) | PTGDR2KIF11BACE1CHRM1MET | |
| SCHEMBL28489366 | 0.77 | BACE1 (0.40) | BACE1MGLLCHRM1AKR1C3AKR1C2 | |
| SCHEMBL16429040 | 0.77 | BACE1 (0.56) | PTGDR2KIF11BACE1METAP2ALDH1A1 | |
| SCHEMBL18025753 | 0.77 | KIF11 (0.52) | PTGDR2KIF11BACE1CHRM1MET | |
| SCHEMBL25795027 | 0.76 | KIF11 (0.47) | PTGDR2KIF11BACE1CHRM1MET | |
| SCHEMBL13642178 | 0.76 | MGLL (0.50) | BACE1MGLLALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3911716-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-09-21 | — | — | EP | disclosed |