Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 7/20 | 0.35 |
| ▸ | CA2 | P00918 | 7/20 | 0.35 |
| ▸ | CA12 | O43570 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29272 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4EMAPTMAOB | |
| Benzene SCHEMBL27499662 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4EMAPTMAOB | |
| SCHEMBL9508013 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EMAPTMAOB | |
| SCHEMBL28117639 | 0.70 | ESR1 (0.48) | CA2 | |
| SCHEMBL6944017 | 0.70 | CYP3A4 (0.48) | ALDH1A1LMNACYP3A4GAAMAPT | |
| SCHEMBL31132412 | 0.68 | HTR1B (0.45) | LMNAKDM4ECYP3A4MAPTBLM | |
| SCHEMBL2643655 | 0.68 | KCNH2 (0.50) | ALDH1A1MAOBHSD17B10 | |
| SCHEMBL27034778 | 0.67 | ALDH1A1 (0.37) | ALDH1A1LMNAKDM4EMAPTHSD17B10 | |
| SCHEMBL3946300 | 0.67 | MEN1 (0.45) | ALDH1A1GAAMAPT | |
| SCHEMBL1818072 | 0.66 | — | — |
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-2121663-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF RIZATRIPTAN | Aurobindo Pharma Limited (IN) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008075163-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF RIZATRIPTAN | AUROBINDO PHARMA LIMITED (IN) | 2008-06-26 | — | — | WO | disclosed |