Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 2/20 | 0.33 |
| ▸ | ARG2 | P78540 | 2/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5532861 | 0.82 | FFAR3 (0.39) | ARG1ARG2GGT1MEN1ALDH1A1 | |
| Bicarbonate SCHEMBL8995795 | 0.82 | ARG2 (0.39) | ARG1ARG2GGT1MEN1ALDH1A1 | |
| Acetone SCHEMBL7760762 | 0.79 | LMNA (0.35) | ARG1ARG2GGT1MEN1ALDH1A1 | |
| SCHEMBL2230483 | 0.77 | FDPS (0.42) | TSHRMEN1ALDH1A1CYP1A2THRB | |
| Ethylene Glycol SCHEMBL8064439 | 0.76 | — | — | |
| SCHEMBL148930 | 0.76 | MEN1 (0.47) | ARG1ARG2TSHRMEN1ALDH1A1 | |
| SCHEMBL2229652 | 0.75 | ALDH1A1 (0.37) | ARG1ARG2TET2EGLN1TSHR | |
| SCHEMBL466172 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL2473803 | 0.74 | SMPD1 (0.46) | TSHRMEN1ALDH1A1KMT2A | |
| SCHEMBL2471652 | 0.74 | SMPD1 (0.46) | TSHRMEN1ALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6130347-A | REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| US-5516928-A | REACTION OF ISOPHORONE AND HYDROGEN CYANIDE USING QUATERNARY AMMONIUM CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-14 | — | — | US | disclosed |