Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8372804 | 0.71 | THRA (0.41) | THRATHRBKMT2A | |
| SCHEMBL9750178 | 0.67 | POLB (0.33) | — | |
| SCHEMBL9747876 | 0.67 | — | — | |
| SCHEMBL9749261 | 0.67 | ADAMTS5 (0.36) | THRATHRBMEN1GAAKMT2A | |
| SCHEMBL9111681 | 0.63 | THRA (0.39) | THRATHRBKMT2A | |
| SCHEMBL8592976 | 0.56 | MAPT (0.43) | MEN1GAAKMT2A | |
| SCHEMBL1364886 | 0.56 | NAAA (0.68) | — | |
| SCHEMBL3235831 | 0.55 | CXCR4 (0.47) | — | |
| SCHEMBL4516905 | 0.55 | NPC1 (0.47) | — | |
| SCHEMBL25025146 | 0.54 | POLB (0.41) | GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0294615-B1 | CYCLOBUTENE-3,4-DIONE-INTERMEDIATES AND THEIR USE IN THE PREPARATION OF HISTAMINE H2-ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 1992-04-15 | — | — | EP | disclosed |
| US-4927970-A | Substituted 3-cyclobutene-1,2-dione intermediates | BRISTOL-MYERS COMPANY (US) | 1990-05-22 | — | — | US | disclosed |
| EP-0294615-A1 | Cyclobutene-3,4-dione-intermediates and their use in the preparation of histamine h2-antagonists | Bristol-Myers Squibb Company (US) | 1988-12-14 | — | — | EP | disclosed |