Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.36 |
| ▸ | STARD10 | Q9Y365 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10703200 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KMT2ATDP1LMNATSHR | |
| SCHEMBL5944803 | 0.78 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3986010 | 0.78 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1114644 | 0.74 | CA12 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7063569 | 0.73 | — | — | |
| SCHEMBL2975907 | 0.72 | CA1 (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13040647 | 0.72 | GPR84 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18387710 | 0.72 | CA12 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31121849 | 0.72 | CA12 (0.38) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL11264339 | 0.71 | ALDH1A1 (0.38) | CA1CA2CA7CA9CA12 |
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-0282365-B1 | 1-DETHIA-2-THIA-CEPHALOSPORANIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-05-12 | — | — | EP | disclosed |
| EP-0282365-A1 | 1-Dethia-2-thia-cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1988-09-14 | — | — | EP | disclosed |