Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL22042441 | 0.89 | ALDH1A1 (0.36) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL29512151 | 0.79 | ALDH1A1 (0.50) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL23905024 | 0.77 | KCNA3 (0.38) | ALDH1A1GAAKMT2AL3MBTL1CA1 | |
| SCHEMBL24226817 | 0.74 | ALDH1A1 (0.56) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL22042434 | 0.73 | EPHX2 (0.34) | ALDH1A1KMT2AEPHX1MEN1MAOB | |
| SCHEMBL22042447 | 0.73 | ALDH1A1 (0.64) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL24226884 | 0.72 | TSHR (0.54) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL20242212 | 0.70 | EPHX2 (0.38) | ALDH1A1PARP1 | |
| SCHEMBL19408982 | 0.69 | ALDH1A1 (0.70) | ALDH1A1GAATSHRCPB1TLR4 | |
| SCHEMBL29512107 | 0.69 | ALDH1A1 (0.46) | ALDH1A1GAATSHRCPB1TLR4 |
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-2020116662-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | 第一三共株式会社 | 2020-06-11 | — | — | WO | disclosed |