Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | FER | P16591 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL68595 | 0.83 | CA12 (0.45) | CA12CA9MAOAMAOBPDGFRA | |
| Hydrochloric Acid SCHEMBL10863156 | 0.81 | CA12 (0.43) | CA12CA9MAOAMAOBPDGFRA | |
| Hydrochloric Acid SCHEMBL2034214 | 0.81 | CA12 (0.43) | CA12CA9MAOAMAOBPDGFRA | |
| Hydrochloric Acid SCHEMBL7397522 | 0.79 | CA12 (0.42) | CA12CA9MAOAMAOBPDGFRA | |
| Trimethylammonium SCHEMBL28014453 | 0.76 | BRPF1 (0.42) | CA12CA9MAOAMAOBPDGFRA | |
| SCHEMBL17257956 | 0.75 | CA12 (0.42) | CA12CA9MAOAMAOBPDGFRA | |
| Alcohol SCHEMBL27720735 | 0.73 | BRPF1 (0.40) | CA12CA9MAOAMAOBPDGFRA | |
| SCHEMBL29380714 | 0.72 | LRRK2 (0.50) | CA12CA9MAOAMAOBPDGFRA | |
| SCHEMBL106149 | 0.72 | LRRK2 (0.50) | CA12CA9MAOAMAOBPDGFRA | |
| SCHEMBL27395617 | 0.72 | ALDH1A1 (0.39) | CA12CA9MAOAMAOBBRPF1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3237403-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | Galderma Research & Development (FR) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102882-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2016-06-30 | — | — | WO | disclosed |