Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ODC1 | P11926 | 2/20 | 0.53 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11097504 | 1.00 | ODC1 (0.53) | ODC1GABRR1ARG1ARG2MEN1 | |
| SCHEMBL10924168 | 1.00 | ODC1 (0.53) | ODC1GABRR1ARG1ARG2MEN1 | |
| SCHEMBL10926218 | 0.83 | ODC1 (0.55) | ODC1ARG1ARG2MEN1ALDH1A1 | |
| SCHEMBL10925216 | 0.79 | ODC1 (0.60) | ODC1GABRR1ARG1ARG2MEN1 | |
| SCHEMBL10925004 | 0.79 | ODC1 (0.50) | ODC1ARG1ARG2MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10927309 | 0.78 | ODC1 (0.48) | ODC1ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL28104635 | 0.76 | ODC1 (0.60) | ODC1ARG1ARG2MEN1ALDH1A1 | |
| SCHEMBL10925953 | 0.72 | ODC1 (0.52) | ODC1MEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL349828 | 0.72 | GABRR1 (0.40) | ODC1GABRR1ALDH1A1GLRA1SLC6A9 | |
| SCHEMBL10960409 | 0.71 | ODC1 (0.46) | ODC1GABRR1MEN1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046710-B1 | PREPARATION OF AMINOACETONITRILE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-13 | — | — | EP | disclosed |
| US-4405530-A | Process for preparing fluorinated amino-nitriles | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-09-20 | — | — | US | disclosed |