Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 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 | 0.80 | MGLL (0.41) | KDM4ESMN1; SMN2ALDH1A1MGLL | |
| SCHEMBL28056872 | 0.79 | ALDH1A1 (0.42) | KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28056948 | 0.79 | NPC1 (0.40) | KDM4ESMN1; SMN2ALDH1A1MGLL | |
| SCHEMBL28056873 | 0.79 | MAPT (0.52) | — | |
| SCHEMBL28056874 | 0.76 | PNMT (0.32) | — | |
| SCHEMBL12160225 | 0.74 | ABAT (0.39) | ABATLOXL2NOS3NOS1NOS2 | |
| Benzylamine SCHEMBL21408194 | 0.72 | LOXL2 (0.67) | LOXL2TAAR1KDM4ESMN1; SMN2 | |
| SCHEMBL28056871 | 0.71 | EPHX1 (0.35) | TAAR1KDM4EALDH1A1 | |
| SCHEMBL28056956 | 0.71 | MAPT (0.41) | KDM4ESMN1; SMN2ALDH1A1MGLL | |
| SCHEMBL28056866 | 0.71 | SLC6A9 (0.43) | NOS3NOS1NOS2ALDH1A1 |
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 |