Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | S100B | P04271 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27678954 | 0.83 | ALDH1A1 (0.33) | KDM4EALDH1A1GAAKMT2APYGL | |
| SCHEMBL12762745 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL29752599 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL14939308 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL4622083 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL4622079 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL10417574 | 0.81 | SLC5A2 (0.38) | PYGL | |
| SCHEMBL27678992 | 0.78 | CA12 (0.36) | ALDH1A1CA1CA2PYGL | |
| SCHEMBL27856596 | 0.78 | CA12 (0.36) | ALDH1A1CA1CA2PYGL | |
| SCHEMBL27678953 | 0.78 | SLC5A2 (0.39) | PYGL |
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-101020704-A | Helicid derivative as medicine with tranquilizing activity and its prepn process | UNIV SICHUAN (CN) | 2007-08-22 | — | — | CN | disclosed |