Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29675981 | 0.87 | CACNA1C (0.41) | KCNH2SCN5ASMN1; SMN2GAANPC1 | |
| SCHEMBL18766184 | 0.87 | CACNA1C (0.41) | KCNH2SCN5ASMN1; SMN2GAANPC1 | |
| SCHEMBL18765685 | 0.84 | GAA (0.46) | SMN1; SMN2GAANPC1RAB9APOLB | |
| SCHEMBL31592678 | 0.84 | GAA (0.46) | SMN1; SMN2GAANPC1RAB9APOLB | |
| SCHEMBL29676136 | 0.83 | MAPK1 (0.38) | SMN1; SMN2GAANPC1RAB9APOLB | |
| SCHEMBL23343856 | 0.81 | MAPK1 (0.40) | SMN1; SMN2GAANPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL29676873 | 0.80 | MAPK1 (0.39) | SMN1; SMN2GAANPC1RAB9APOLB | |
| SCHEMBL29676240 | 0.77 | CYP3A4 (0.35) | SMN1; SMN2GAANPC1RAB9APOLB | |
| SCHEMBL29676835 | 0.77 | MAPK1 (0.38) | SMN1; SMN2GAARAB9APOLBTDP1 | |
| SCHEMBL19323950 | 0.77 | ALDH1A1 (0.49) | KCNH2SCN5ASMN1; SMN2GAANPC1 |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |