Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960357 | 0.89 | — | — | |
| SCHEMBL28204230 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11843790 | 0.86 | — | — | |
| SCHEMBL3260589 | 0.81 | — | — | |
| SCHEMBL19149147 | 0.81 | NOS3 (0.39) | NOS3NOS1NOS2ALDH1A1ALDH2 | |
| SCHEMBL5085468 | 0.79 | HSD17B10 (0.45) | NOS3NOS1NOS2ALDH1A1MGLL | |
| SCHEMBL11176326 | 0.79 | HSD17B10 (0.45) | NOS3NOS1NOS2ALDH1A1MGLL | |
| SCHEMBL6970687 | 0.79 | HSD17B10 (0.45) | NOS3NOS1NOS2ALDH1A1MGLL | |
| SCHEMBL28318510 | 0.79 | HSD17B10 (0.45) | NOS3NOS1NOS2ALDH1A1MGLL | |
| SCHEMBL27520699 | 0.77 | HSD17B10 (0.43) | NOS3NOS1NOS2ALDH1A1MGLL |
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 |