Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NCF1 | P14598 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28015992 | 0.98 | HTT (0.36) | HTTNCF1CYP1A2NOS2BACE1 | |
| SCHEMBL491053 | 0.65 | ALDH1A1 (0.39) | HTTBACE1NPC1RAB9ACYP2C9 | |
| 2-Phenylquinoline SCHEMBL44999 | 0.64 | RAB9A (0.73) | CYP1A2NPC1RAB9AARCYP3A4 | |
| 2-Phenylquinoline SCHEMBL29399739 | 0.64 | RAB9A (0.73) | CYP1A2NPC1RAB9AARCYP3A4 | |
| SCHEMBL8666648 | 0.63 | CYP1A1 (0.39) | CYP1A2MEN1KMT2AKDM4EALDH1A1 | |
| 2-Phenylquinoline SCHEMBL346742 | 0.62 | RAB9A (0.70) | CYP1A2NPC1RAB9AARCYP3A4 | |
| 2-Phenylquinoline SCHEMBL6858671 | 0.62 | RAB9A (0.70) | CYP1A2NPC1RAB9AARCYP3A4 | |
| 2-Phenylquinoline SCHEMBL1815021 | 0.62 | RAB9A (0.70) | CYP1A2NPC1RAB9AARCYP3A4 | |
| 2-Phenylquinoline SCHEMBL5733254 | 0.62 | RAB9A (0.70) | CYP1A2NPC1RAB9AARCYP3A4 | |
| 2-Phenylquinoline SCHEMBL28871326 | 0.62 | RAB9A (0.70) | CYP1A2NPC1RAB9AARCYP3A4 |
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-103923067-B | The micromolecular inhibitor of a kind of MdmX/Mdm2 and preparation method and application | 湖北工业大学 | 2016-08-24 | — | — | CN | disclosed |