Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539623 | 0.85 | L3MBTL1 (0.60) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL625181 | 0.78 | ALDH1A1 (0.84) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL9819486 | 0.77 | CA12 (0.56) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL14062138 | 0.76 | CNR2 (0.52) | CA12CA9L3MBTL1ALDH1A1KMT2A | |
| SCHEMBL28808214 | 0.76 | ALDH1A1 (0.79) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL1517530 | 0.75 | L3MBTL1 (0.55) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL7090406 | 0.75 | CA2 (0.73) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL198318 | 0.75 | CA12 (1.00) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL29100457 | 0.74 | ALDH1A1 (0.71) | CA12CYP1A2CYP3A4ATMCA9 | |
| SCHEMBL2627764 | 0.74 | ALDH1A1 (0.68) | CA12CYP1A2CYP3A4ATMCA9 |
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-3093287-A1 | AN IODINE CATALYSED PROCESS FOR PREPARING HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS | Fundació Institut Català D'investigació Quimica (ES) | 2016-11-16 | — | — | EP | disclosed |
| EP-3093287-A1 | AN IODINE CATALYSED PROCESS FOR PREPARING HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS | Fundació Institut Català D'investigació Quimica (ES) | 2016-11-16 | — | — | EP | disclosed |