Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056867 | 0.80 | KDM4E (0.36) | KDM4EALDH1A1MGLLMAPTCYP1A2 | |
| SCHEMBL28056958 | 0.77 | MGLL (0.41) | KDM4EALDH1A1MGLLMAPTNPC1 | |
| SCHEMBL28056872 | 0.72 | ALDH1A1 (0.42) | KDM4EALDH1A1MAPTGAALMNA | |
| SCHEMBL28056871 | 0.71 | EPHX1 (0.35) | KDM4EALDH1A1GAALMNA | |
| SCHEMBL27977613 | 0.69 | LMNA (0.44) | KDM4EALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL28056953 | 0.68 | KDM4E (0.36) | KDM4EALDH1A1MGLLLMNADRD3 | |
| SCHEMBL21445770 | 0.66 | CES2 (0.43) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28471235 | 0.65 | CA12 (0.57) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29723043 | 0.64 | POLB (0.42) | KDM4EALDH1A1MAPTGAALMNA | |
| SCHEMBL775449 | 0.64 | POLB (0.42) | KDM4EALDH1A1MAPTGAALMNA |
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 |