Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749443 | 0.82 | NPC1 (0.35) | ALDH1A1TSHRMMP1HPGDSLC2A1 | |
| SCHEMBL9748925 | 0.74 | ADAMTS5 (0.39) | ALDH1A1MAPTADAMTS5 | |
| SCHEMBL9749261 | 0.74 | ADAMTS5 (0.36) | ALDH1A1LMNAHTTMAPTADAMTS5 | |
| SCHEMBL9749015 | 0.73 | CCNE2 (0.42) | ALDH1A1TSHRMMP1CCNE2CCNE1 | |
| SCHEMBL777886 | 0.72 | PSIP1 (0.64) | ALDH1A1TSHRMMP1PSIP1MMP3 | |
| Benzene SCHEMBL6390523 | 0.70 | PSIP1 (0.61) | ALDH1A1MMP1PSIP1MMP3MMP8 | |
| SCHEMBL2445501 | 0.70 | PSIP1 (0.61) | ALDH1A1MMP1PSIP1MMP3MMP8 | |
| SCHEMBL6025529 | 0.70 | PSIP1 (0.52) | ALDH1A1TSHRMMP1PSIP1MMP3 | |
| SCHEMBL8592976 | 0.69 | MAPT (0.43) | ALDH1A1TSHRLMNAHTTMAPT | |
| SCHEMBL6673936 | 0.69 | PSIP1 (0.59) | ALDH1A1MMP1PSIP1MMP3MMP8 |
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 |