Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 4/20 | 0.38 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP7 | P09237 | 3/20 | 0.38 |
| ▸ | MMP12 | P39900 | 3/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7604367 | 0.77 | ADAMTS5 (0.38) | CCNE2CCNE1CDK2ALDH1A1TSHR | |
| SCHEMBL9749005 | 0.73 | ALDH1A1 (0.43) | CCNE2CCNE1CDK2ALDH1A1TSHR | |
| SCHEMBL8598123 | 0.71 | HDAC1 (0.36) | ALDH1A1TSHRMAPTMEN1TP53 | |
| SCHEMBL8604153 | 0.70 | POLB (0.39) | ALDH1A1MAPTMEN1KMT2AADAMTS5 | |
| SCHEMBL7597268 | 0.68 | PLK1 (0.43) | ADAMTS5 | |
| SCHEMBL20556306 | 0.67 | ATM (0.51) | ALDH1A1MEN1KMT2AMMP13MMP1 | |
| SCHEMBL9748999 | 0.66 | TDP1 (0.49) | CCNE2CCNE1CDK2ALDH1A1TSHR | |
| Squaric Acid Dibutyl Ester SCHEMBL56180 | 0.65 | CYP3A4 (0.44) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL3716157 | 0.64 | POLB (0.49) | KDM4EGAA | |
| SCHEMBL7597357 | 0.64 | ADAMTS5 (0.38) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 |