Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 9/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL19629922 | 0.85 | NR3C2 (0.41) | NR3C2NR3C1ALDH1A1MAPTPKM | |
| SCHEMBL7977817 | 0.84 | NR3C2 (0.40) | NR3C2NR3C1ALDH1A1MAPTPKM | |
| SCHEMBL19629923 | 0.84 | NR3C2 (0.43) | NR3C2NR3C1ALDH1A1MAPTPKM | |
| SCHEMBL19250267 | 0.78 | NR3C2 (0.39) | NR3C2NR3C1PKMKMT2AKCNH2 | |
| SCHEMBL23871561 | 0.77 | NR3C2 (0.38) | NR3C2NR3C1KCNH2 | |
| SCHEMBL23871692 | 0.76 | MAPK14 (0.40) | NR3C2NR3C1KCNH2 | |
| SCHEMBL619718 | 0.76 | NR3C2 (0.44) | NR3C2NR3C1ALDH1A1MAPTPKM | |
| SCHEMBL655255 | 0.73 | NR3C2 (0.47) | NR3C2NR3C1ALDH1A1MAPTKMT2A | |
| SCHEMBL21400918 | 0.72 | NR3C2 (0.42) | NR3C2NR3C1ALDH1A1MAPTPKM | |
| SCHEMBL7977865 | 0.72 | NR3C2 (0.38) | NR3C2NR3C1ALDH1A1MAPTKCNH2 |
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-2017199265-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION | BUGWORKS RESEARCH INDIA PVT LTD (IN) | 2017-11-23 | — | — | WO | disclosed |