Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 5/20 | 0.52 |
| ▸ | TDP2 | O95551 | 2/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | WHR1 | P49842 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21801705 | 0.81 | NSD2 (0.49) | NSD2TDP2IDO1CDC25ACDC25B | |
| SCHEMBL21801752 | 0.70 | S100A4 (0.48) | NSD2SCN9APTGER4TRPV3ACACB | |
| SCHEMBL23375735 | 0.69 | SCN9A (0.40) | SCN9AROCK2PTGER4TRPV3WHR1 | |
| SCHEMBL21500077 | 0.66 | ROCK2 (0.40) | SCN9AROCK2PTGER4TRPV3WHR1 | |
| SCHEMBL31346994 | 0.66 | PTPN11 (0.42) | ROCK2PTGER4TRPV3WHR1 | |
| SCHEMBL30469073 | 0.66 | OGA (0.49) | SCN9AROCK2PTGER4TRPV3WHR1 | |
| SCHEMBL25331930 | 0.66 | OGA (0.49) | SCN9AROCK2PTGER4TRPV3WHR1 | |
| SCHEMBL21801704 | 0.65 | TDP2 (0.61) | NSD2TDP2IDO1CDC25ACDC25B | |
| SCHEMBL21801763 | 0.65 | NSD2 (0.57) | NSD2TDP2IDO1CDC25ACDC25B | |
| SCHEMBL31105491 | 0.63 | HRH3 (0.50) | — |
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-2020055192-A2 | PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR | 재단법인 대구경북첨단의료산업진흥재단 | 2020-03-19 | — | — | WO | disclosed |