Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | EEF2K | O00418 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18522686 | 0.80 | MAPT (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL20628725 | 0.77 | OPRM1 (0.35) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL21677202 | 0.71 | EEF2K (0.33) | EEF2K | |
| SCHEMBL5530167 | 0.66 | MMP8 (0.49) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL31198091 | 0.66 | PIN1 (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL10650360 | 0.64 | PIN1 (0.42) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL12826218 | 0.64 | MEN1 (0.37) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19MAPT | |
| SCHEMBL26951141 | 0.64 | CES2 (0.33) | — | |
| SCHEMBL24555599 | 0.63 | GPR35 (0.33) | ALDH1A1MAPTNPSR1GAA | |
| SCHEMBL18683323 | 0.63 | TSHR (0.46) | ALDH1A1CYP1A2CYP2C19RAB9AMAPT |
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-3218362-B1 | 2-AMINO-3,5-DIFLUORO-3,6-DIMETHYL-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATING ALZHEIMER'S DISEASE | H LUNDBECK AS (DK) | 2019-01-09 | — | — | EP | disclosed |