Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PRKX | P51817 | 1/20 | 0.44 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29473788 | 1.00 | NPC1 (0.49) | NPC1RAB9AMAPTCDK4CCND1 | |
| SCHEMBL28609630 | 0.80 | EZH2 (0.53) | NPC1RAB9AMEN1KMT2AHDAC1 | |
| SCHEMBL28607253 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL28613722 | 0.77 | ITK (0.44) | NPC1RAB9AIMPDH2 | |
| SCHEMBL29473813 | 0.77 | ITK (0.44) | NPC1RAB9AIMPDH2 | |
| SCHEMBL28601010 | 0.76 | EZH2 (0.45) | NPC1RAB9AALDH1A1ROCK2CYP3A4 | |
| SCHEMBL28606860 | 0.75 | EZH2 (0.43) | NPC1RAB9ACYP2D6 | |
| SCHEMBL29473794 | 0.72 | ITK (0.45) | NPC1RAB9AKDM4EIMPDH2 | |
| SCHEMBL28594985 | 0.72 | ITK (0.45) | NPC1RAB9AKDM4EIMPDH2 | |
| SCHEMBL31146142 | 0.72 | KDM4E (0.62) | RAB9AALDH1A1KDM4ECYP2C9HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113045494-B | Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis | 四川大学华西医院 | 2022-04-26 | — | — | CN | disclosed |
| CN-113045494-A | Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis | 四川大学华西医院 | 2021-06-29 | — | — | CN | disclosed |