Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IAPP | P10997 | 4/20 | 0.41 |
| ▸ | ODC1 | P11926 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6720237 | 0.87 | AKR1B1 (0.47) | ODC1AKR1B1SMN1; SMN2HIF1ACA2 | |
| SCHEMBL11094621 | 0.85 | ALDH1A1 (0.40) | ODC1GABRA1GABRB2SMN1; SMN2HIF1A | |
| SCHEMBL11223299 | 0.82 | ODC1 (0.41) | ODC1AKR1B1KLK1KLK5SMN1; SMN2 | |
| SCHEMBL5125806 | 0.78 | BLM (0.51) | IAPPAKR1B1GABRA1GABRB2SMN1; SMN2 | |
| SCHEMBL23963102 | 0.75 | ODC1 (0.38) | ODC1SMN1; SMN2HIF1AALDH1A1EGFR | |
| SCHEMBL11327906 | 0.75 | TYR (0.43) | ODC1 | |
| SCHEMBL11089503 | 0.75 | EGFR (0.40) | ODC1HIF1AALDH1A1EGFRCA1 | |
| SCHEMBL23963121 | 0.75 | ODC1 (0.38) | ODC1SMN1; SMN2HIF1AALDH1A1EGFR | |
| SCHEMBL11327908 | 0.75 | TYR (0.43) | ODC1 | |
| SCHEMBL2212930 | 0.73 | SMN1; SMN2 (0.60) | ODC1AKR1B1SMN1; SMN2HIF1ARECQL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4342780-A | 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE | MERRELL-TORAUDE ET CIE (FR) | 1982-08-03 | — | — | US | claimed |
| 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 |
| US-4342780-A | 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE | MERRELL-TORAUDE ET CIE (FR) | 1982-08-03 | — | — | US | disclosed |
| EP-0046710-A1 | Preparation of aminoacetonitrile derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |