Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.49 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.40 |
| ▸ | HPGD | P15428 | 8/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21309854 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL9340040 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL30852342 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL25665243 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL27372220 | 0.72 | ERCC5 (0.49) | ALDH1A1TSHRKMT2AKDM4EHPGD | |
| SCHEMBL14090844 | 0.72 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL27373840 | 0.72 | ALDH1A1 (0.57) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL30852281 | 0.71 | ALDH1A1 (0.59) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL4458686 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL15200002 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CFTRTSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021004391-A1 | C-MYC PROTEIN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州开拓药业股份有限公司 | 2021-01-14 | — | — | WO | disclosed |