Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB8 | P28062 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | USP8 | P40818 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL251068 | 0.80 | PSMB8 (0.41) | PSMB8ALDH1A1HTTGAA | |
| SCHEMBL11854195 | 0.77 | PARP1 (0.44) | PARP1ALDH1A1TSHRPDE3BPDE3A | |
| SCHEMBL353892 | 0.75 | PARP1 (0.56) | PARP1NPC1ALDH1A1HPGDHTT | |
| SCHEMBL31033488 | 0.75 | PARP1 (0.56) | PARP1NPC1ALDH1A1HPGDHTT | |
| SCHEMBL24553999 | 0.75 | EGFR (0.39) | PARP1NPC1ALDH1A1HPGDHTT | |
| SCHEMBL29733018 | 0.75 | EGFR (0.39) | PARP1NPC1ALDH1A1HPGDHTT | |
| SCHEMBL29893903 | 0.73 | KEAP1 (0.42) | PSMB8ALDH1A1HPGDRAB9A | |
| SCHEMBL14091258 | 0.73 | GRM5 (0.45) | PARP1NPC1ALDH1A1HPGDHTT | |
| Bromide SCHEMBL5318093 | 0.73 | PARP1 (0.55) | PARP1NPC1ALDH1A1HPGDHTT | |
| SCHEMBL10960503 | 0.72 | ALDH1A1 (0.48) | PSMB8NPC1ALDH1A1HTTRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108383880-A | Target cumarin-platinum (II) complex and its synthetic method and the application of ovarian cancer drug-resistant strain | 玉林师范学院 | 2018-08-10 | — | — | CN | disclosed |
| CN-102592040-B | The method of drug discovery | 基德姆生物科学有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-102592040-A | Drug discovery method | KEDDEM BIO SCIENCE LTD | 2012-07-18 | — | — | CN | disclosed |
| CN-1668918-A | Methods of Drug Discovery | KEDDEM BIO SCIENCE LTD (IL) | 2005-09-14 | — | — | CN | disclosed |