Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29473813 | 1.00 | ITK (0.44) | ITKRAB9AMAPK8IMPDH2NPC1 | |
| SCHEMBL29473794 | 0.92 | ITK (0.45) | ITKRAB9AMAPK8IMPDH2NPC1 | |
| SCHEMBL28594985 | 0.92 | ITK (0.45) | ITKRAB9AMAPK8IMPDH2NPC1 | |
| SCHEMBL28595713 | 0.82 | RAB9A (0.44) | RAB9AIMPDH2NPC1 | |
| SCHEMBL29473805 | 0.82 | RAB9A (0.44) | RAB9AIMPDH2NPC1 | |
| SCHEMBL28595738 | 0.80 | EZH2 (0.40) | ITKPTGES | |
| SCHEMBL29473795 | 0.80 | EZH2 (0.40) | ITKPTGES | |
| SCHEMBL28919196 | 0.77 | NPC1 (0.49) | RAB9AIMPDH2NPC1 | |
| SCHEMBL29473788 | 0.77 | NPC1 (0.49) | RAB9AIMPDH2NPC1 | |
| SCHEMBL29473812 | 0.74 | ITK (0.47) | ITKMAPK8 |
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 |