Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTN3A1 | O00481 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | ENO1 | P06733 | 2/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9193616 | 0.81 | HTT (0.48) | CA1CA2 | |
| SCHEMBL2598916 | 0.81 | FDPS (0.46) | BTN3A1ALDH1A1ENO1FNTAFNTB | |
| SCHEMBL2453750 | 0.81 | BTN3A1 (0.40) | BTN3A1ALDH1A1ENO1FNTAFNTB | |
| SCHEMBL9189651 | 0.77 | HTT (0.46) | CA1CA2ALDH1A1 | |
| SCHEMBL2455044 | 0.76 | FDPS (0.51) | BTN3A1ALDH1A1ENO1 | |
| SCHEMBL2458967 | 0.75 | FDPS (0.42) | BTN3A1ALDH1A1ENO1FNTAFNTB | |
| SCHEMBL2456571 | 0.74 | ALDH1A1 (0.42) | BTN3A1ALDH1A1ENO1FNTAFNTB | |
| SCHEMBL2459061 | 0.74 | BTN3A1 (0.40) | BTN3A1ALDH1A1ENO1 | |
| SCHEMBL9188504 | 0.74 | FDPS (0.41) | BTN3A1ALDH1A1ENO1FNTAFNTB | |
| SCHEMBL9187926 | 0.73 | BTN3A1 (0.36) | BTN3A1ALDH1A1ENO1FNTAFNTB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0416689-A2 | Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors | MERCK & CO. INC. (US) | 1991-03-13 | — | — | EP | disclosed |