Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749005 | 0.82 | ALDH1A1 (0.43) | SLC2A1LMNAHTTADAMTS5TSHR | |
| SCHEMBL9748925 | 0.81 | ADAMTS5 (0.39) | NPC1RAB9AADAMTS5ALDH1A1MAPT | |
| SCHEMBL9749261 | 0.81 | ADAMTS5 (0.36) | NPC1RAB9ALMNAHTTADAMTS5 | |
| SCHEMBL8592976 | 0.75 | MAPT (0.43) | LMNAHTTTSHRALDH1A1MAPT | |
| SCHEMBL25025146 | 0.72 | POLB (0.41) | LMNATSHRALDH1A1MAPTGAA | |
| SCHEMBL22301648 | 0.72 | POLB (0.41) | LMNATSHRALDH1A1MAPTGAA | |
| SCHEMBL31163657 | 0.72 | POLB (0.41) | LMNATSHRALDH1A1MAPTGAA | |
| SCHEMBL7604367 | 0.71 | ADAMTS5 (0.38) | NPC1RAB9ALMNAHTTADAMTS5 | |
| SCHEMBL6657166 | 0.70 | THRA (0.36) | ADAMTS5TSHRGAAPOLB | |
| SCHEMBL7602487 | 0.70 | ADAMTS5 (0.37) | NPC1RAB9ALMNAHTTADAMTS5 |
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 |