Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPYD | Q12882 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 4/20 | 0.37 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21333260 | 0.77 | MCL1 (0.55) | DPYDMCL1KDM4EALDH1A1HPGD | |
| SCHEMBL31399395 | 0.75 | ALDH1A1 (0.44) | DPYDMCL1KDM4EALDH1A1HPGD | |
| SCHEMBL1779488 | 0.75 | — | — | |
| SCHEMBL29956876 | 0.75 | ENPP2 (0.35) | DPYDMCL1KDM4EALDH1A1HPGD | |
| SCHEMBL15358113 | 0.71 | ALDH1A1 (0.44) | MCL1KDM4EALDH1A1HPGDDAO | |
| SCHEMBL16649897 | 0.70 | TTR (0.41) | KDM4EALDH1A1UPP1RECQLTDP1 | |
| SCHEMBL8138214 | 0.67 | — | — | |
| SCHEMBL16877088 | 0.67 | — | — | |
| SCHEMBL12944279 | 0.67 | — | — | |
| SCHEMBL21026422 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015161014-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |
| EP-2704712-A1 | ISOXAZOLINES AS THERAPEUTIC AGENTS | AbbVie Inc. (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151158-A1 | ISOXAZOLINES AS THERAPEUTIC AGENTS | ABBOTT LABORATORIES (US) | 2012-11-08 | — | — | WO | disclosed |