Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.64 |
| ▸ | CA7 | P43166 | 3/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1727915 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| SCHEMBL1727205 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL6227 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL11686696 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| SCHEMBL1726879 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| SCHEMBL1726858 | 1.00 | CA12 (0.64) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL3723387 | 0.97 | CA12 (0.61) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL4591944 | 0.97 | CA12 (0.61) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL8532680 | 0.97 | CA12 (0.61) | CA12CA7CA14CA1CA2 | |
| Cyclamic Acid SCHEMBL120573 | 0.97 | CA12 (0.61) | CA12CA7CA14CA1CA2 |
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-3344608-A1 | A PROCESS FOR THE PREPARATION OF XYLENE LINKED CYCLAM COMPOUNDS | Fresenius Kabi Oncology Ltd (IN) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037639-A1 | A PROCESS FOR THE PREPARATION OF XYLENE LINKED CYCLAM COMPOUNDS | FRESENIUS KABI ONCOLOGY LTD. (IN) | 2017-03-09 | — | — | WO | disclosed |