Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5541260 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP1A2POLBGAA | |
| SCHEMBL11274051 | 0.66 | — | — | |
| SCHEMBL28294089 | 0.63 | HDAC8 (0.41) | ALDH1A1NPSR1GAA | |
| SCHEMBL16196894 | 0.63 | — | — | |
| SCHEMBL6383719 | 0.61 | ALDH1A1 (0.43) | ALDH1A1NPSR1POLB | |
| SCHEMBL6383717 | 0.61 | ALDH1A1 (0.43) | ALDH1A1NPSR1POLB | |
| Bicarbonate SCHEMBL60768 | 0.61 | FFAR3 (0.44) | ALDH1A1CYP1A2 | |
| Bicarbonate SCHEMBL378701 | 0.61 | FFAR3 (0.44) | ALDH1A1CYP1A2 | |
| Malonic Acid SCHEMBL1615262 | 0.60 | LDHA (0.56) | ALDH1A1NPSR1 | |
| Malonic Acid SCHEMBL217701 | 0.60 | LDHA (0.56) | ALDH1A1NPSR1 |
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-2007393-A2 | THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS | Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007118149-A2 | THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) | 2007-10-18 | — | — | WO | disclosed |