Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL17752896 | 0.79 | KDM4E (0.46) | ALDH1A1HPGDKCNH2MAPTGAA | |
| SCHEMBL3256104 | 0.78 | GPR3 (0.61) | GPR3ALDH1A1NUDT1HPGDCYP1A2 | |
| SCHEMBL28311772 | 0.75 | GPR3 (0.57) | GPR3ALDH1A1NUDT1HPGDCYP1A2 | |
| SCHEMBL85621 | 0.75 | GPR3 (1.00) | GPR3ALDH1A1NUDT1HPGDCYP1A2 | |
| SCHEMBL29057778 | 0.75 | POLB (0.65) | ALDH1A1HPGDCYP1A2KCNH2MAPT | |
| SCHEMBL27961869 | 0.74 | ACHE (0.59) | ALDH1A1NUDT1HPGDCYP1A2HSD17B10 | |
| SCHEMBL20233977 | 0.74 | CYP1A2 (0.50) | GPR3ALDH1A1NUDT1HPGDCYP1A2 | |
| SCHEMBL28192105 | 0.73 | ATM (0.41) | ALDH1A1HPGDHSD17B10KCNH2MAPT | |
| SCHEMBL21934465 | 0.73 | MEN1 (0.54) | ALDH1A1NUDT1HPGDCYP1A2KCNH2 | |
| Hydrochloric Acid SCHEMBL3907848 | 0.73 | GPR3 (0.95) | GPR3ALDH1A1NUDT1HPGDCYP1A2 |
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-2016074755-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2016-05-19 | — | — | WO | disclosed |