Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 6/20 | 0.83 |
| ▸ | PRKCG | P05129 | 5/20 | 0.83 |
| ▸ | PRKCZ | Q05513 | 5/20 | 0.83 |
| ▸ | PRKCD | Q05655 | 5/20 | 0.83 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.83 |
| ▸ | PRKACG | P22612 | 4/20 | 0.83 |
| ▸ | PRKACB | P22694 | 4/20 | 0.83 |
| ▸ | PRKD3 | O94806 | 4/20 | 0.83 |
| ▸ | PRKCB | P05771 | 4/20 | 0.83 |
| ▸ | PRKCA | P17252 | 4/20 | 0.83 |
| ▸ | PRKCH | P24723 | 4/20 | 0.83 |
| ▸ | PRKCI | P41743 | 4/20 | 0.83 |
| ▸ | PRKCE | Q02156 | 4/20 | 0.83 |
| ▸ | PRKCQ | Q04759 | 4/20 | 0.83 |
| ▸ | PRKD1 | Q15139 | 4/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.83 |
| ▸ | AKT2 | P31751 | 3/20 | 0.83 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.83 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL9636264 | 1.00 | PRKACA (0.83) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL29967929 | 0.91 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL123495 | 0.91 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL123496 | 0.91 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL9587855 | 0.91 | PRKACA (0.82) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL9587853 | 0.91 | PRKACA (0.82) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Bromide SCHEMBL3347119 | 0.90 | PRKACA (0.98) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL1048974 | 0.90 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL29967768 | 0.90 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL905696 | 0.90 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7826979-B2 | Method of modeling complex formation between a query ligan and a target molecule | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-02 | — | — | US | disclosed |
| US-7826979-B2 | Method of modeling complex formation between a query ligan and a target molecule | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-02 | — | — | US | disclosed |
| US-5081246-A | Isoquinolino sulfonamino derivatives | Hidaka, Hiroyoshi (JP) | 1992-01-14 | — | — | US | disclosed |