Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5118002 | 0.98 | HPGDS (0.53) | HPGDSCYP11B2CYP11B1CYP17A1CDC7 | |
| SCHEMBL27893482 | 0.86 | HPGDS (0.47) | HPGDSCYP11B2CYP11B1CYP17A1CDC7 | |
| SCHEMBL5259772 | 0.84 | HPGDS (0.49) | HPGDSCYP11B2CYP11B1CYP17A1CDC7 | |
| Isoquinoline SCHEMBL27659278 | 0.82 | PDGFRB (0.47) | HPGDSCYP11B2CYP11B1CYP17A1NCOA3 | |
| SCHEMBL2012088 | 0.80 | HPGDS (0.36) | HPGDSNCOA3HTTMAP4K4PDGFRB | |
| SCHEMBL27516474 | 0.78 | ALDH1A1 (0.56) | HPGDSPDGFRBPDGFRA | |
| SCHEMBL29788946 | 0.76 | ALDH1A1 (0.57) | HPGDSPDGFRBPDGFRA | |
| Water SCHEMBL27871202 | 0.76 | ALDH1A1 (0.57) | HPGDSPDGFRBPDGFRA | |
| SCHEMBL63442 | 0.76 | ALDH1A1 (0.57) | HPGDSPDGFRBPDGFRA | |
| Methane SCHEMBL28479303 | 0.74 | ALDH1A1 (0.56) | HPGDSPDGFRBPDGFRA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |