Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL28056958 | 0.83 | MGLL (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL28056873 | 0.82 | MAPT (0.52) | NPC1RAB9ALMNAL3MBTL1CYP2C9 | |
| SCHEMBL28056872 | 0.82 | ALDH1A1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL28056956 | 0.80 | MAPT (0.41) | RAB9ASMN1; SMN2ALDH1A1LMNAHPGD | |
| SCHEMBL28826651 | 0.79 | ABAT (0.35) | SMN1; SMN2ALDH1A1KDM4EMGLL | |
| SCHEMBL26985642 | 0.74 | ALDH1A1 (0.37) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL27977311 | 0.70 | ALDH1A1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL28056871 | 0.70 | EPHX1 (0.35) | ALDH1A1LMNAKDM4E | |
| SCHEMBL28056866 | 0.70 | SLC6A9 (0.43) | ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL30892882 | 0.67 | LMNA (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA |
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 |