Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056873 | 0.83 | MAPT (0.52) | KCNH2CHRM2CHRM1NPC1RAB9A | |
| SCHEMBL28056872 | 0.83 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL28056948 | 0.83 | NPC1 (0.40) | MGLLALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11205281 | 0.82 | MAPT (0.45) | MGLLALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28056956 | 0.81 | MAPT (0.41) | MGLLALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL28056871 | 0.81 | EPHX1 (0.35) | ALDH1A1KDM4E | |
| SCHEMBL28056866 | 0.81 | SLC6A9 (0.43) | ALDH1A1KCNH2SLC6A2SLC6A4DRD3 | |
| SCHEMBL28826651 | 0.80 | ABAT (0.35) | MGLLALDH1A1SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL11839902 | 0.80 | MAPT (0.43) | MGLLALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28056875 | 0.79 | KDM4E (0.43) | MGLLALDH1A1CHRM2CHRM1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103992265-B | Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |