Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 5/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 2/20 | 0.35 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.34 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.33 |
| ▸ | CASK | O14936 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.33 |
| ▸ | CDK14 | O94921 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | MAK | P20794 | 1/20 | 0.33 |
| ▸ | CDK11B | P21127 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL8551205 | 1.00 | SMYD3 (0.37) | SMYD3MAPK11MAPK14HPGDSMAP4K3 | |
| Bromide SCHEMBL8592359 | 0.99 | SMYD3 (0.36) | SMYD3MAPK11MAPK14HPGDSMAP4K3 | |
| Hydrochloric Acid SCHEMBL8553150 | 0.87 | SMYD3 (0.34) | SMYD3HPGDSDGAT2ITGB3ITGA2B | |
| SCHEMBL8549817 | 0.82 | ITGB3 (0.42) | SMYD3MAPK11MAPK14FLT3FPR3 | |
| SCHEMBL8549822 | 0.82 | ITGB3 (0.42) | SMYD3MAPK11MAPK14FLT3FPR3 | |
| Bromide SCHEMBL8554795 | 0.81 | ITGB3 (0.41) | SMYD3MAPK11MAPK14CDK4CDK2 | |
| Hydrochloric Acid SCHEMBL8592586 | 0.80 | SMYD3 (0.37) | SMYD3DYRK1ACD38L3MBTL1 | |
| SCHEMBL8549842 | 0.78 | SMYD3 (0.41) | SMYD3HPGDSITGB3ITGA2B | |
| Bromide SCHEMBL8549638 | 0.77 | SMYD3 (0.35) | SMYD3HPGDSFLT3ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL9409596 | 0.74 | MEN1 (0.42) | SMYD3L3MBTL1 |
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-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | claimed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | claimed |