Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 6/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BAX | Q07812 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21801742 | 0.85 | MEN1 (0.51) | MEN1KMT2ANPC1GAARAB9A | |
| SCHEMBL28466937 | 0.80 | MEN1 (0.46) | MEN1KMT2ANPC1GAARAB9A | |
| SCHEMBL30313784 | 0.80 | MEN1 (0.46) | MEN1KMT2ANPC1GAARAB9A | |
| SCHEMBL21801801 | 0.80 | EPHX2 (0.37) | MEN1KMT2ANPC1RAB9A | |
| SCHEMBL21338868 | 0.79 | CA1 (0.57) | MEN1KMT2ANPC1GAARAB9A | |
| SCHEMBL2313930 | 0.76 | MEN1 (0.55) | MEN1KMT2ANPC1GAARAB9A | |
| SCHEMBL2762065 | 0.76 | CA1 (0.61) | CA1CA2LTA4HTSHRNR1H2 | |
| SCHEMBL28337059 | 0.75 | CA1 (0.46) | CA1CA2LTA4HTSHRALDH1A1 | |
| SCHEMBL78440 | 0.75 | CA1 (0.46) | CA1CA2LTA4HTSHRALDH1A1 | |
| Benzene SCHEMBL28134938 | 0.75 | CA1 (0.46) | CA1CA2LTA4HTSHRALDH1A1 |
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 |