Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 13/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 13/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 5/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550368 | 1.00 | SMYD3 (0.40) | SMYD3ITGB3ITGA2BALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8551138 | 0.99 | SMYD3 (0.40) | SMYD3ITGB3ITGA2BALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8594144 | 0.87 | SMYD3 (0.38) | SMYD3ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL8552893 | 0.83 | SMYD3 (0.43) | SMYD3ITGB3ITGA2BALDH1A1TSHR | |
| SCHEMBL8549822 | 0.81 | ITGB3 (0.42) | SMYD3ITGB3ITGA2B | |
| SCHEMBL8549817 | 0.81 | ITGB3 (0.42) | SMYD3ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL8592586 | 0.81 | SMYD3 (0.37) | SMYD3ALDH1A1TSHR | |
| SCHEMBL8552049 | 0.80 | SMYD3 (0.43) | SMYD3ALDH1A1TSHR | |
| SCHEMBL8551232 | 0.80 | LMNA (0.39) | ITGB3ITGA2BALDH1A1DGAT1 | |
| Bromide SCHEMBL8554795 | 0.80 | ITGB3 (0.41) | SMYD3ITGB3ITGA2BDGAT1 |
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 |