Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.39 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | F9 | P00740 | 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 | |
|---|---|---|---|---|
| SCHEMBL24741753 | 0.93 | GPR3 (0.48) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL26529714 | 0.88 | ALDH1A1 (0.47) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL3169352 | 0.85 | GPR3 (0.56) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL12593173 | 0.85 | ESR2 (0.46) | GPR3ALDH1A1MAPTPOLBHPGD | |
| SCHEMBL21109946 | 0.83 | MAPT (0.43) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL24311764 | 0.83 | GPR3 (0.48) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL13672093 | 0.82 | CYP2A6 (0.41) | ALDH1A1MAPTPOLBTDP1L3MBTL1 | |
| SCHEMBL21742588 | 0.82 | ALDH1A1 (0.45) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL21742592 | 0.82 | ESR2 (0.45) | GPR3ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL21742794 | 0.82 | ALDH1A1 (0.45) | GPR3ALDH1A1MAPTPOLBTDP1 |
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-2017102064-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |