Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 12/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8553202 | 1.00 | GSK3B (0.40) | GSK3BDYRK1ASMYD3AOC3BAZ2A | |
| Bromide SCHEMBL8594139 | 0.99 | GSK3B (0.39) | GSK3BDYRK1ASMYD3AOC3BAZ2A | |
| SCHEMBL8550484 | 0.89 | SMYD3 (0.41) | GSK3BDYRK1ASMYD3AOC3BAZ2A | |
| SCHEMBL8550491 | 0.89 | SMYD3 (0.41) | GSK3BDYRK1ASMYD3AOC3BAZ2A | |
| SCHEMBL13422228 | 0.79 | TYR (0.51) | GSK3BDYRK1ASMYD3AOC3TYR | |
| Bromide SCHEMBL8592755 | 0.79 | LMNA (0.37) | DRD2HTR2ADRD3HPGDS | |
| Bromide SCHEMBL8549638 | 0.79 | SMYD3 (0.35) | SMYD3DRD2HTR2ADRD3HPGDS | |
| Hydrochloric Acid SCHEMBL8594144 | 0.79 | SMYD3 (0.38) | SMYD3DRD2HTR2ADRD3 | |
| SCHEMBL9415854 | 0.76 | ALDH1A1 (0.46) | SMYD3DRD2HTR2ADRD3 | |
| SCHEMBL9409367 | 0.76 | ALDH1A1 (0.46) | SMYD3DRD2HTR2ADRD3 |
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 | disclosed |
| 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 | disclosed |